Consensus flow list

Identity

Type
NeutralMolecule
CAS
2122-19-2
EC
620-432-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Propylenethiourea

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NGZJXCFNBVJLQN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H8N2S/c1-3-2-5-4(7)6-3/h3H,2H2,1H3,(H2,5,6,7)
IUPAC name chemrof:IUPAC_name 2-Imidazolidinethione, 4-methyl-
Molecular formula chemrof:molecular_formula C4H8N2S
Molecular mass chemrof:molecular_mass 116.189
Monoisotopic mass chemrof:monoisotopic_mass 116.040819
SMILES string chemrof:smiles_string CC1CNC(=S)N1

Known URLs

8

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=2122-19-2 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3052694 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=31254 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=68394 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/63849722NS enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J40.913H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2777312 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27263578 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3a6774fc-c12c-4e5e-b091-55de94b7ec78 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
2b94a5eb-fa64-4574-a693-dc2865b23516 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
798e484e-79b5-4620-ba15-3b8d2f47e46a Environmental → Air → Indoor EF 3.1 kg 2
74d1d2e0-ce5c-4b33-9787-ccbbf90dd813 Environmental → Air → Long-term EF 3.1 kg 0
dd8745e4-4af1-4836-aaa8-b73b89f4e656 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e15b9394-d148-4a2e-8a68-2a50177b2e3e Environmental → Air → Unknown EF 3.1 kg 2
b914cd2a-ba91-406b-aad0-c79ab0876fca Environmental → Ground → Agricultural EF 3.1 kg 2
01530709-5cbd-4868-9447-ce9e14092fd4 Environmental → Ground → Non-agricultural EF 3.1 kg 2
6b5242cb-f219-41eb-ae74-6811f212cb22 Environmental → Ground → Unknown EF 3.1 kg 2
910bca51-a66c-42f5-bb91-8502f8b947ff Environmental → Water → Long-term EF 3.1 kg 0
7f266f51-38fd-42e7-8504-5fb7c0763f87 Environmental → Water → Ocean EF 3.1 kg 2
1f4f2d42-af58-4605-9933-290cd332c105 Environmental → Water → Surface water EF 3.1 kg 2
2007ee00-ccab-4f1e-a4f4-1d25f1dde510 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-50e82ea155ed2975",
  "prefLabel": [
    {
      "@value": "Propylenethiourea",
      "@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": "2-Imidazolidinethione, 4-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2122-19-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2122-19-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Imidazoline-2-thiol, 4-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2122-19-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2122-19-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Imidazoline-2-thiol, 5-methyl-",
      "@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=2122-19-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Methyl-2-imidazolidinethione",
      "@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=2122-19-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Methylimidazolidine-2-thione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N′-(1,2-Propylene)thiourea",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    }
  ],
  "properties": {
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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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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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    "https://w3id.org/chemrof/molecular_mass": {
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      "provenance": [
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        }
      ],
      "attested_by": {
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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": {
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      },
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    }
  },
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  "created_from": {
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      "rdfs:seeAlso": [
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  "@type": [
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}

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