Methylene Bis[dibutyl(dithiocarbamate)]
fo-08d21282c584a9cf
Identity
- Type
- Neutral molecule
- CAS
- 10254-57-6
- EC
- 233-593-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
![Structure diagram for Methylene Bis[dibutyl(dithiocarbamate)]](/flow-objects/fo-08d21282c584a9cf/structure.svg)
Alternative labels
9- Bis(di-n-butylthiocarbamoylthio)methane
- Carbamic acid, dibutyldithio-, methylene ester
- Carbamodithioic acid, dibutyl-, methylene ester
- Carbamodithioic acid, N,N-dibutyl-, C,C′-methylene ester
- Dibutylcarbamodithioic acid methylene ester
- Methylene bis(di-N-butyldithiocarbamate)
- Methylene bis(dibutyldithiocarbamate)
- Methylene bis(N,N-dibutyldithiocarbamate)
- Octopol MB
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | LMODBLQHQHXPEI-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C19H38N2S4/c1-5-9-13-20(14-10-6-2)18(22)24-17-25-19(23)21(15-11-7-3)16-12-8-4/h5-17H2,1-4H3 |
| IUPAC name chemrof:IUPAC_name | Methylene Bis[dibutyl(dithiocarbamate)] |
| Molecular formula chemrof:molecular_formula | C19H38N2S4 |
| Molecular mass chemrof:molecular_mass | 422.795 |
| Monoisotopic mass chemrof:monoisotopic_mass | 422.191783 |
| SMILES string chemrof:smiles_string | CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC |
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=10254-57-6 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.030.526 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5029718 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8074XM58IX | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J157.833B | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/82496 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27269121 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 1fea0a0f-cfed-4dd0-8b05-a6ad28b04bde | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 9fb7c5a5-0e0e-48d5-a8ef-ab359e2ae1a9 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 8712468c-d329-4c33-8429-a90f4769bc23 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| dea4404f-2cc6-44c5-aef5-e4132e88c116 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| c930311b-ebd6-49ce-bca4-b65436ea42ec | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 1d1f63ad-e0eb-4971-bd67-630d24de4bc3 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 6427b8cf-9a0f-46a0-acbb-0408989fca79 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 29009119-88e4-4b34-9ff7-5bc369cd61c2 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 95e38efd-e6ca-4392-bea8-487470eaab32 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| bd2d2841-570d-4f9c-9346-bd2ec6a9a6f0 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| c8a06aa5-6eb1-406c-8b7c-c713adb263e8 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 23200b65-f046-42a7-a5e0-4d20945db782 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| fe58427b-2f88-4c86-ac25-47258cc13d50 | 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-08d21282c584a9cf",
"prefLabel": [
{
"@value": "Methylene Bis[dibutyl(dithiocarbamate)]",
"@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": "Bis(di-n-butylthiocarbamoylthio)methane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10254-57-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=10254-57-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Carbamic acid, dibutyldithio-, methylene ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10254-57-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=10254-57-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Carbamodithioic acid, dibutyl-, methylene ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10254-57-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=10254-57-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Carbamodithioic acid, N,N-dibutyl-, C,C′-methylene ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10254-57-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=10254-57-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dibutylcarbamodithioic acid methylene ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10254-57-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=10254-57-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Methylene bis(di-N-butyldithiocarbamate)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10254-57-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=10254-57-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Methylene bis(dibutyldithiocarbamate)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10254-57-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=10254-57-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Methylene bis(N,N-dibutyldithiocarbamate)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10254-57-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=10254-57-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Octopol MB",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:10254-57-6",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=10254-57-6"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C19H38N2S4"
],
"attested_by": {
"C19H38N2S4": [
"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:82496"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"LMODBLQHQHXPEI-UHFFFAOYSA-N"
],
"attested_by": {
"LMODBLQHQHXPEI-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:82496"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Methylene Bis[dibutyl(dithiocarbamate)]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC"
]
}
],
"attested_by": {
"CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C19H38N2S4/c1-5-9-13-20(14-10-6-2)18(22)24-17-25-19(23)21(15-11-7-3)16-12-8-4/h5-17H2,1-4H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Methylene Bis[dibutyl(dithiocarbamate)]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC"
]
}
],
"attested_by": {
"InChI=1S/C19H38N2S4/c1-5-9-13-20(14-10-6-2)18(22)24-17-25-19(23)21(15-11-7-3)16-12-8-4/h5-17H2,1-4H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Methylene Bis[dibutyl(dithiocarbamate)]"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Methylene Bis[dibutyl(dithiocarbamate)]"
]
},
"attested_by": {
"Methylene Bis[dibutyl(dithiocarbamate)]": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
422.795
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC"
]
}
],
"attested_by": {
"422.795": [
"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": [
422.191783
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC"
]
}
],
"attested_by": {
"422.191783": [
"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=J157.833B",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:82496;CAS:10254-57-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[10254-57-6]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.030.526",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:82496;CAS:10254-57-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[10254-57-6]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=10254-57-6",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"10254-57-6"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID5029718",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:82496;CAS:10254-57-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[10254-57-6]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8074XM58IX",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:82496;CAS:10254-57-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[10254-57-6]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/82496",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:82496;CAS:10254-57-6"
],
"prov:wasDerivedFrom": "pubchem.by_cas[10254-57-6]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27269121",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:82496;CAS:10254-57-6"
],
"prov:wasDerivedFrom": "pubchem.identifiers[10254-57-6]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "1d1f63ad-e0eb-4971-bd67-630d24de4bc3",
"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": [
"10254-57-6"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=10254-57-6"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=10254-57-6"
}
],
"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": [
"233-593-1"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=233-593-1"
],
"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