Consensus flow list

Identity

Type
Neutral molecule
CAS
2782-91-4
EC
220-488-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Tetramethylthiourea

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string MNOILHPDHOHILI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H12N2S/c1-6(2)5(8)7(3)4/h1-4H3
IUPAC name chemrof:IUPAC_name Tetramethylthiourea
Molecular formula chemrof:molecular_formula C5H12N2S
Molecular mass chemrof:molecular_mass 132.232
Monoisotopic mass chemrof:monoisotopic_mass 132.072119, 132.07212
SMILES string chemrof:smiles_string CN(C)C(=S)N(C)C

Known URLs

13

Where 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=2782-91-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:191168 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.018.626 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.16753.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5026126 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=102499 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL12214 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/J6T67A1P72 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J54.446I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/17725 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=580951 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q22159079 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tetramethylthiourea enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
320f747c-0be8-4331-9045-9c725779330d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d2a4ade0-a23c-4064-b694-5780779a475a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
cc64dba4-0f5e-45f2-9db6-3f1f3277ff82 Environmental → Air → Indoor EF 3.1 kg 2
f122f73b-248a-46f2-ba5c-1f0a48d9adc4 Environmental → Air → Long-term EF 3.1 kg 0
8964f54d-d7ff-4802-aecb-0f74c72445dd Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
03490b7c-2164-4acb-a41a-f0f7ad596182 Environmental → Air → Unknown EF 3.1 kg 2
e3bb242f-5881-4580-a99f-8a7749efed6f Environmental → Ground → Agricultural EF 3.1 kg 2
fe8c0847-f9e6-4007-b32e-104bbf328b68 Environmental → Ground → Non-agricultural EF 3.1 kg 2
32163240-b045-4af9-b35b-6b14ba1ba03f Environmental → Ground → Unknown EF 3.1 kg 2
6a34d4af-bb27-4c26-a3fd-41f86a66b7b3 Environmental → Water → Long-term EF 3.1 kg 0
924136f9-8062-454f-8061-a518f549748c Environmental → Water → Ocean EF 3.1 kg 2
8264e69c-df25-4de1-8a15-452fef348289 Environmental → Water → Surface water EF 3.1 kg 2
d6841f08-168b-4417-ab3c-a613975b0d44 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON
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    "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": [
        "2782-91-4"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=2782-91-4"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=2782-91-4"
        }
      ],
      "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": [
        "220-488-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=220-488-0"
      ],
      "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"
  ]
}

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