Consensus flow list

Identity

Type
NeutralMolecule
CAS
4104-75-0
EC
223-877-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1-methyl-1-phenylthiourea

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MCWZNJNWGQPUGL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H10N2S/c1-10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,11)
IUPAC name chemrof:IUPAC_name 1-methyl-1-phenylthiourea
Molecular formula chemrof:molecular_formula C8H10N2S
Molecular mass chemrof:molecular_mass 166.249
Monoisotopic mass chemrof:monoisotopic_mass 166.056469
SMILES string chemrof:smiles_string CN(C(N)=S)c1ccccc1

Known URLs

10

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=4104-75-0 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:194977 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.021.707 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00194014 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=87749 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1337079 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UF9CTT47KB enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J224.912J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/723631 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q67665417 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3a333613-e0d3-445a-859f-7b91da08f212 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
05eaa44d-d4b3-4bc6-9007-cd1be5a88e55 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
18be82ee-04d9-4922-9a9f-4a455782d149 Environmental → Air → Indoor EF 3.1 kg 2
38822ace-9571-4696-8ffb-3740254559f3 Environmental → Air → Long-term EF 3.1 kg 0
a813489c-8415-4ecd-9e79-cc11ddd02578 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
865e735a-67b3-453e-b102-bcc605d60aef Environmental → Air → Unknown EF 3.1 kg 2
f2202e42-6bd1-480a-9e01-cb375c79b926 Environmental → Ground → Agricultural EF 3.1 kg 2
6d21835b-9e3f-48cb-8d4e-414a7f2a5e2d Environmental → Ground → Non-agricultural EF 3.1 kg 2
cebdb1e5-49f8-4ad0-ad64-bef4da93faa1 Environmental → Ground → Unknown EF 3.1 kg 2
e51362f2-8875-4fb1-971d-29a594c2ebb9 Environmental → Water → Long-term EF 3.1 kg 0
afd69008-f9bf-432d-896f-d9f3d53a9dbf Environmental → Water → Ocean EF 3.1 kg 2
130e914c-75a7-4625-8c2a-809861a15e20 Environmental → Water → Surface water EF 3.1 kg 2
0c11496d-6aa6-4df5-8886-6934a12d7e5a 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-e4c842704d36f4be",
  "prefLabel": [
    {
      "@value": "1-methyl-1-phenylthiourea",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "N-Methyl-N-phenylthiourea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=4104-75-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Thiourea, N-methyl-N-phenyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Urea, 1-methyl-1-phenyl-2-thio-",
      "@language": "en",
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        ],
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
  "references": [
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  "@type": [
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}

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