Consensus flow list

Identity

Type
NeutralMolecule
CAS
86-88-4
EC
201-706-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Antu

Alternative labels

22

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PIVQQUNOTICCSA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H10N2S/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,12,13,14)
IUPAC name chemrof:IUPAC_name alpha-Naphthylthiourea
Molecular formula chemrof:molecular_formula C11H10N2S
Molecular mass chemrof:molecular_mass 202.282
Monoisotopic mass chemrof:monoisotopic_mass 202.056469, 202.05647
SMILES string chemrof:smiles_string NC(=S)Nc1cccc2ccccc12

Known URLs

19

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=86-88-4 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/YT8D8678.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82256 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.552 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0973 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8020919 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3287 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182781 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UKY0H6XJ4J enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0243772 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.268D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19136 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19136 enrich_references.pubchem_identifier_url
ppdb ppdb:1269 enrich_references.chebi_xrefs
ppdb ppdb:2638 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/736366 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1651 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=114926 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q413532 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b1b41c21-dd10-4532-afb8-10e3875a40ca Environmental → Air → Aircraft cruise height EF 3.1 kg 0
0b978c33-a4a8-4dc6-ad74-fecafc4e3729 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
06b7aae9-dedf-494f-84c1-381531227d43 Environmental → Air → Indoor EF 3.1 kg 0
d084767f-06ff-4b9f-9223-a3a1d14df532 Environmental → Air → Long-term EF 3.1 kg 0
4c976a16-6bc6-4c2c-8675-41928ad71c58 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
4d16cf27-7f50-4bbf-89b9-7053fdd4f8d4 Environmental → Air → Unknown EF 3.1 kg 0
9bb91d1a-fe0a-4793-b042-f67db9e58ab8 Environmental → Ground → Agricultural EF 3.1 kg 0
823cb3e2-4117-4428-acc5-b13b5db699d9 Environmental → Ground → Non-agricultural EF 3.1 kg 0
8ab773d6-a862-44fe-bb90-ea438fa83e73 Environmental → Ground → Unknown EF 3.1 kg 0
62f6419b-aeec-4fed-8999-42e73edb3467 Environmental → Water → Long-term EF 3.1 kg 0
012bd63e-4ec5-4392-a1d4-38c649da9b08 Environmental → Water → Ocean EF 3.1 kg 0
70f886bf-c697-4551-9014-a2f5f8242620 Environmental → Water → Surface water EF 3.1 kg 0
a3c09c36-38bd-4bd1-9e95-630742059cb4 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-89260001ed8d47cc",
  "prefLabel": [
    {
      "@value": "Antu",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-(1-Naphthyl)-2-thiourea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=86-88-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(1-Naphthyl)thiourea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(Naphthalen-1-yl)thiourea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Naphthylthiourea",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "alpha-Naphthylthiourea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Alrato",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Anturat",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bantu",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=86-88-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dirax",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Kripid",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Krysid",
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      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=86-88-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-1-Naphthalenylthiourea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "N-1-Naphthylthiourea",
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    },
    {
      "@value": "Naphthalen-1-ylthiourea",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Naphtox",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Rattrack",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Smeesana",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Thiourea, 1-naphthalenyl-",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
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      }
    },
    {
      "@value": "Thiourea, N-1-naphthalenyl-",
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        ],
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      }
    },
    {
      "@value": "Urea, 1-(1-naphthyl)-2-thio-",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "α-Naphthylthiocarbamide",
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    },
    {
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  ],
  "properties": {
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      "rdfs:label": "InChI",
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