Phosphorothioic Triamide, N-butyl-
fo-07218102154f97e0
Identity
- Type
- Neutral molecule
- CAS
- 94317-64-3
- EC
- 435-740-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
13- Agrotain
- Agrotain DC
- AGROTAIN DRI-MAXX
- Agrotain Plus
- Agrotain Prime
- Agrotain Ultra
- ArmU
- N-(n-Butyl)phosphorothioic triamide
- N-(n-Butyl)thiophosphoric acid triamide
- N-(n-Butyl)thiophosphoric triamide
- N-Butylphosphorothioic triamide
- N-Butylthiophosphoric triamide
- Phosphorothioic triamide, butyl-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | HEPPIYNOUFWEPP-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C4H14N3PS/c1-2-3-4-7-8(5,6)9/h2-4H2,1H3,(H5,5,6,7,9) |
| IUPAC name chemrof:IUPAC_name | Phosphorothioic Triamide, N-butyl- |
| Molecular formula chemrof:molecular_formula | C4H14N3PS |
| Molecular mass chemrof:molecular_mass | 167.218 |
| Monoisotopic mass chemrof:monoisotopic_mass | 167.064605 |
| SMILES string chemrof:smiles_string | CCCCNP(N)(N)=S |
Known URLs
10Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=94317-64-3 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.103.392 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.112.861 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4044747 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186430 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/A6103OK7GF | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J227.462K | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/93502 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27273672 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/N-(n-Butyl)thiophosphoric_triamide | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 11e33c1e-0971-4414-a311-feff5cbaf7cc | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 7a2294f7-d1f8-41b5-987d-eab196ae557b | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 057ee777-fb0e-47fe-b37e-f4c3ad95d914 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 6baee2cf-b76b-4164-b779-80eef47ed352 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| caa43eea-6089-417b-b3b8-b40bd1f6ce9f | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 31b0dcfe-d305-4448-a0cd-73b54f29f5eb | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| a1bccb0c-9746-4351-b3e6-382d36d35d03 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| dfb9aafe-556c-4e02-ab6b-f1c4eeb166f2 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 75ef193d-cb04-42a4-87a0-37e476c6537e | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| b225312d-53ee-4262-8362-0096b9e78b8d | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| ac8257cc-7b8c-4c29-835a-290bd5c92f39 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| f8582e33-3a46-490c-b821-42d7d9438d44 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 11c31528-3f3f-40d6-8511-e5fcd0f6b412 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-07218102154f97e0",
"prefLabel": [
{
"@value": "Phosphorothioic Triamide, N-butyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "Agrotain",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:94317-64-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=94317-64-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Agrotain DC",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:94317-64-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=94317-64-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "AGROTAIN DRI-MAXX",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:94317-64-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=94317-64-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Agrotain Plus",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:94317-64-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=94317-64-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Agrotain Prime",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:94317-64-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=94317-64-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Agrotain Ultra",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:94317-64-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=94317-64-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "ArmU",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:94317-64-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=94317-64-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-(n-Butyl)phosphorothioic triamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:94317-64-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=94317-64-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-(n-Butyl)thiophosphoric acid triamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:94317-64-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=94317-64-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-(n-Butyl)thiophosphoric triamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:94317-64-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=94317-64-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-Butylphosphorothioic triamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:94317-64-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=94317-64-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N-Butylthiophosphoric triamide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:94317-64-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=94317-64-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Phosphorothioic triamide, butyl-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:94317-64-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=94317-64-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C4H14N3PS"
],
"attested_by": {
"C4H14N3PS": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:93502"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCNP(N)(N)=S"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"HEPPIYNOUFWEPP-UHFFFAOYSA-N"
],
"attested_by": {
"HEPPIYNOUFWEPP-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:93502"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCNP(N)(N)=S"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCCCNP(N)(N)=S"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Phosphorothioic Triamide, N-butyl-"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCNP(N)(N)=S"
]
}
],
"attested_by": {
"CCCCNP(N)(N)=S": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C4H14N3PS/c1-2-3-4-7-8(5,6)9/h2-4H2,1H3,(H5,5,6,7,9)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Phosphorothioic Triamide, N-butyl-"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCNP(N)(N)=S"
]
}
],
"attested_by": {
"InChI=1S/C4H14N3PS/c1-2-3-4-7-8(5,6)9/h2-4H2,1H3,(H5,5,6,7,9)": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Phosphorothioic Triamide, N-butyl-"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Phosphorothioic Triamide, N-butyl-"
]
},
"attested_by": {
"Phosphorothioic Triamide, N-butyl-": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
167.218
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCNP(=S)(N)N"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCNP(N)(N)=S"
]
}
],
"attested_by": {
"167.218": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
167.064605
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCNP(=S)(N)N"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCNP(N)(N)=S"
]
}
],
"attested_by": {
"167.064605": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J227.462K",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:93502;CAS:94317-64-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[94317-64-3]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.103.392",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:93502;CAS:94317-64-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[94317-64-3]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.112.861",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:93502;CAS:94317-64-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[94317-64-3]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=94317-64-3",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"94317-64-3"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID4044747",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:93502;CAS:94317-64-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[94317-64-3]"
}
},
{
"@id": "https://en.wikipedia.org/wiki/N-(n-Butyl)thiophosphoric_triamide",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:93502;CAS:94317-64-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[94317-64-3]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/A6103OK7GF",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:93502;CAS:94317-64-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[94317-64-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/93502",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:93502;CAS:94317-64-3"
],
"prov:wasDerivedFrom": "pubchem.by_cas[94317-64-3]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186430",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:93502;CAS:94317-64-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[94317-64-3]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27273672",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:93502;CAS:94317-64-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[94317-64-3]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "057ee777-fb0e-47fe-b37e-f4c3ad95d914",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"94317-64-3"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=94317-64-3"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=94317-64-3"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"435-740-7"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=435-740-7"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works