Consensus flow list

Identity

Type
NeutralMolecule
CAS
103-85-5
EC
203-151-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Phenyl-2-thiourea

Alternative labels

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FULZLIGZKMKICU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
IUPAC name chemrof:IUPAC_name Phenyl-2-thiourea
Molecular formula chemrof:molecular_formula C7H8N2S
Molecular mass chemrof:molecular_mass 152.222
Monoisotopic mass chemrof:monoisotopic_mass 152.040819, 152.04082
SMILES string chemrof:smiles_string NC(=S)Nc1ccccc1

Known URLs

34

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=103-85-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:46261 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.865 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9021134 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB03694 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB03694 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5779 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL263376 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6F82C6Q54C enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256448 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.517D enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=148188 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-7084 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:URS enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL263376 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/676454 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2811 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=022764 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/13914407 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20484932 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21534859 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22656649 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22690050 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22761952 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23598058 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25962731 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26005654 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26226450 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27402661 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/4113332 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/834304 enrich_references.chebi_xrefs
reaxys reaxys:907309 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q411216 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Phenylthiocarbamide enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
00399ec3-775e-459b-9a75-c45f9cc01f49 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5ecd262c-a767-4acd-a884-258d40645472 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
9f67fdf7-9d8f-4489-b9ef-8119685324d9 Environmental → Air → Indoor EF 3.1 kg 2
318b104f-af1d-4853-813c-55e280271b28 Environmental → Air → Long-term EF 3.1 kg 0
9283cbb0-584c-413f-a82d-ce37e9d2e245 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
961b7a5f-4a2e-4082-a634-3452e864982e Environmental → Air → Unknown EF 3.1 kg 2
f2cd409f-f8fe-4028-9461-dc4226a54cf4 Environmental → Ground → Agricultural EF 3.1 kg 2
9532ebaf-294e-46bc-93e9-f20c9fbbb36a Environmental → Ground → Non-agricultural EF 3.1 kg 2
e689b18c-2486-49a7-aa62-6aa4998fb36b Environmental → Ground → Unknown EF 3.1 kg 2
46d0ade3-74f5-4f8b-a80d-dc82b2c9beef Environmental → Water → Long-term EF 3.1 kg 0
9b50cc53-8b8f-410c-b976-47d07727c7de Environmental → Water → Ocean EF 3.1 kg 2
24753167-96b2-439e-9d99-0ea4c449cb4a Environmental → Water → Surface water EF 3.1 kg 2
021f7a54-1d28-479f-90ac-ec2807b502f9 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-9e76b685b6bf480a",
  "prefLabel": [
    {
      "@value": "Phenyl-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-phenyl-2-thiourea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_46261"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-phenylthiourea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_46261"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "alpha-phenylthiourea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_46261"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "MeSH ID: D010670",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:103-85-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=103-85-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "monophenyl thiourea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_46261"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-Phenylthiocarbamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Phenylthiourea",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "phenylthiocarbamide",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "phenylthiourea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_46261"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "PhNHC(=S)NH2",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "PhNHC(S)NH2",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "PhNHCSNH2",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_46261"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Thiourea, N-phenyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=103-85-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Thiourea, phenyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=103-85-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Urea, 1-phenyl-2-thio-",
      "@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": "α-Phenylthiourea",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
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  ],
  "properties": {
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      "attested_by": {
        "C7H8N2S": [
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      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
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      "provenance": [
        {
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        {
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)"
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "@value": [
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      "attested_by": {
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      "rdfs:label": "Molecular mass",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "@value": [
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      ],
      "attested_by": {
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        "152.040819": [
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        },
        {
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        }
      ]
    },
    "https://w3id.org/chemrof/elemental_charge": {
      "@id": "https://w3id.org/chemrof/elemental_charge",
      "@value": [
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      ],
      "attested_by": {
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      },
      "rdfs:label": "Elemental charge",
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        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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      },
      "attested_by": {
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    }
  },
  "references": [
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      }
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