3-(triethoxysilyl)propyl Thiocyanate
fo-4a87d6b77794aef2
Identity
- Type
- Neutral molecule
- CAS
- 34708-08-2
- EC
- 252-161-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
7- (3-Thiocyanatopropyl)triethoxysilane
- (Thiocyanatopropyl)triethoxysilane
- (γ-Thiocyanatopropyl)triethoxysilane
- 3-Triethoxysilylpropyl thiocyanate
- SIT 7908.0
- Thiocyanic acid, 3-(triethoxysilyl)propyl ester
- Triethoxy(3-thiocyanatopropyl)silane
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | HKMVWLQFAYGKSI-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H21NO3SSi/c1-4-12-16(13-5-2,14-6-3)9-7-8-15-10-11/h4-9H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | 3-(triethoxysilyl)propyl Thiocyanate |
| Molecular formula chemrof:molecular_formula | C10H21NO3SSi |
| Molecular mass chemrof:molecular_mass | 263.435 |
| Monoisotopic mass chemrof:monoisotopic_mass | 263.101141 |
| SMILES string chemrof:smiles_string | CCO[Si](CCCSC#N)(OCC)OCC |
Known URLs
7Where 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=34708-08-2 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.047.405 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5044659 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/LFK8NDL8UF | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J250.957A | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/118718 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27282960 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 9e9f10c5-ff1a-4172-97a5-88c4f42d7128 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| c4286da5-0a4c-4bc6-a7a5-6839d2526966 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| fc38e759-1f4e-43c3-a921-5a134177c32b | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 0099d236-3894-4060-922a-a50d9de2e392 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 94c9f452-34ff-4678-b00c-c3eeaccebbec | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 3a75eb94-f231-4d8c-bb28-89b77e402ca9 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 32156f17-8d78-478d-8ab6-c5e0b981c166 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 036b63c8-60d4-4dc6-8f67-1ab86cab3c76 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 918716f1-3f1e-4e63-a489-3d704d1d6318 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| d24549b3-087a-432f-8406-919f21db88be | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 13b6ec6a-8f9b-4841-9ea1-1e35b238fbc9 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| c83c507d-3d2e-4016-ad9c-b222b912c5e5 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 4f1bc3ea-7de5-49ba-8ced-689b4da5aa29 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-4a87d6b77794aef2",
"prefLabel": [
{
"@value": "3-(triethoxysilyl)propyl Thiocyanate",
"@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": "(3-Thiocyanatopropyl)triethoxysilane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34708-08-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34708-08-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "(Thiocyanatopropyl)triethoxysilane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34708-08-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34708-08-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "(γ-Thiocyanatopropyl)triethoxysilane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34708-08-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34708-08-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-Triethoxysilylpropyl thiocyanate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34708-08-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34708-08-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "SIT 7908.0",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34708-08-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34708-08-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Thiocyanic acid, 3-(triethoxysilyl)propyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34708-08-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34708-08-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Triethoxy(3-thiocyanatopropyl)silane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:34708-08-2",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=34708-08-2"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C10H21NO3SSi"
],
"attested_by": {
"C10H21NO3SSi": [
"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:118718"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCO[Si](CCCSC#N)(OCC)OCC"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"HKMVWLQFAYGKSI-UHFFFAOYSA-N"
],
"attested_by": {
"HKMVWLQFAYGKSI-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:118718"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCO[Si](CCCSC#N)(OCC)OCC"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCO[Si](CCCSC#N)(OCC)OCC"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3-(triethoxysilyl)propyl Thiocyanate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCO[Si](CCCSC#N)(OCC)OCC"
]
}
],
"attested_by": {
"CCO[Si](CCCSC#N)(OCC)OCC": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C10H21NO3SSi/c1-4-12-16(13-5-2,14-6-3)9-7-8-15-10-11/h4-9H2,1-3H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3-(triethoxysilyl)propyl Thiocyanate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCO[Si](CCCSC#N)(OCC)OCC"
]
}
],
"attested_by": {
"InChI=1S/C10H21NO3SSi/c1-4-12-16(13-5-2,14-6-3)9-7-8-15-10-11/h4-9H2,1-3H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"3-(triethoxysilyl)propyl Thiocyanate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"3-(triethoxysilyl)propyl Thiocyanate"
]
},
"attested_by": {
"3-(triethoxysilyl)propyl Thiocyanate": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
263.435
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCO[Si](CCCSC#N)(OCC)OCC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCO[Si](CCCSC#N)(OCC)OCC"
]
}
],
"attested_by": {
"263.435": [
"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": [
263.101141
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCO[Si](CCCSC#N)(OCC)OCC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCO[Si](CCCSC#N)(OCC)OCC"
]
}
],
"attested_by": {
"263.101141": [
"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=J250.957A",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:118718;CAS:34708-08-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[34708-08-2]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.047.405",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:118718;CAS:34708-08-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[34708-08-2]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=34708-08-2",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:118718;CAS:34708-08-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[34708-08-2]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID5044659",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:118718;CAS:34708-08-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[34708-08-2]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/LFK8NDL8UF",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:118718;CAS:34708-08-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[34708-08-2]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/118718",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:118718;CAS:34708-08-2"
],
"prov:wasDerivedFrom": "pubchem.by_cas[34708-08-2]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27282960",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:118718;CAS:34708-08-2"
],
"prov:wasDerivedFrom": "pubchem.identifiers[34708-08-2]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "0099d236-3894-4060-922a-a50d9de2e392",
"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": [
"34708-08-2"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=34708-08-2"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=34708-08-2"
}
],
"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": [
"252-161-3"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=252-161-3"
],
"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