Consensus flow list

Identity

Type
NeutralMolecule
CAS
6972-05-0
EC
230-204-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1,1-dimethyl-2-thiourea

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZQGWBPQBZHMUFG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H8N2S/c1-5(2)3(4)6/h1-2H3,(H2,4,6)
IUPAC name chemrof:IUPAC_name 1,1-dimethyl-2-thiourea
Molecular formula chemrof:molecular_formula C3H8N2S
Molecular mass chemrof:molecular_mass 104.178
Monoisotopic mass chemrof:monoisotopic_mass 104.040819
SMILES string chemrof:smiles_string CN(C)C(N)=S

Known URLs

9

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=6972-05-0 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.027.459 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80220007 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=67246 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/E9F6NSU1N5 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0255268 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J8.870F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3034192 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q83097071 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
da128ffa-8f8b-4dd5-93b1-0cdf1eac15f4 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
bb527aab-ee09-4d14-ba89-970cd37c17f3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
7ee82762-d2c8-409f-9cb3-b0cd89d076ef Environmental → Air → Indoor EF 3.1 kg 2
726e9d9f-a7a9-4a07-b03f-c7a81cbf7f40 Environmental → Air → Long-term EF 3.1 kg 0
b6e32d4d-622b-41d7-8373-9fbc2d445ecd Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
629b61fb-d12d-4271-8ca2-fc68d310dfa9 Environmental → Air → Unknown EF 3.1 kg 2
1c1bbf03-8cda-4cab-872e-5995bf7ec030 Environmental → Ground → Agricultural EF 3.1 kg 2
9f76f837-f3d8-4461-ae24-19a1cc2ac9aa Environmental → Ground → Non-agricultural EF 3.1 kg 2
fad57887-c0dc-4fc2-a4b0-66fc9bb57c40 Environmental → Ground → Unknown EF 3.1 kg 2
d7b8867d-c93a-45c0-82a9-1272c3d16f7f Environmental → Water → Long-term EF 3.1 kg 0
7f07e5cc-b431-42b8-9f4f-268362ceb183 Environmental → Water → Ocean EF 3.1 kg 2
f1390628-3322-4867-83c0-2c371bffc74b Environmental → Water → Surface water EF 3.1 kg 2
c64174d8-8a2d-4a2a-8862-21b80434809c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-64e969bcb2cca2b4",
  "prefLabel": [
    {
      "@value": "1,1-dimethyl-2-thiourea",
      "@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": "1,1-Dimethylthiourea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=6972-05-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Urea, 1,1-dimethyl-2-thio-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C3H8N2S"
      ],
      "attested_by": {
        "C3H8N2S": [
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      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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    },
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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    },
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      ],
      "provenance": [
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        },
        {
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        }
      ],
      "attested_by": {
        "104.178": [
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        ]
      },
      "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": [
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      ],
      "provenance": [
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        },
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          ]
        }
      ],
      "attested_by": {
        "104.040819": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
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    },
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    },
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  ],
  "created_from": {
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    "seed_uuid": "1c1bbf03-8cda-4cab-872e-5995bf7ec030",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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      ],
      "provenance": {
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

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