Consensus flow list

Identity

Type
Neutral molecule
CAS
103-72-0
EC
203-138-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Phenyl Isothiocyanate

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QKFJKGMPGYROCL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
IUPAC name chemrof:IUPAC_name Phenyl Isothiocyanate
Molecular formula chemrof:molecular_formula C7H5NS
Molecular mass chemrof:molecular_mass 135.191
Monoisotopic mass chemrof:monoisotopic_mass 135.01427
SMILES string chemrof:smiles_string S=C=Nc1ccccc1

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=103-72-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:85103 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.853 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0021129 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5583 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL309036 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0D58F84LSU enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0253699 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.019I enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130223 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7673 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/22974327 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24628280 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24852536 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25532938 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28295200 enrich_references.chebi_xrefs
reaxys reaxys:471392 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q422311 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Phenyl_isothiocyanate enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
eb4d81cd-8efa-463a-91c5-7a8dcff41651 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7fe5503a-142d-479f-93f4-02659a8c8534 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
bb9c45e0-93c9-478c-bca5-e5b3b4de4ff7 Environmental → Air → Indoor EF 3.1 kg 2
65961692-0570-4aef-9230-0b5c85a519a7 Environmental → Air → Long-term EF 3.1 kg 0
49c5c74f-5d22-4dca-b0cb-b1ea15bb23b9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9c9a1fbb-906e-434c-af60-6aa0c83ae2e5 Environmental → Air → Unknown EF 3.1 kg 2
52ad96d0-f200-407f-b70d-4b7857a4dfcb Environmental → Ground → Agricultural EF 3.1 kg 2
761e8c16-fbf3-45b8-8f63-1b3d3150e88b Environmental → Ground → Non-agricultural EF 3.1 kg 2
7d38e40e-7cec-4fdc-90c9-23337b10af7c Environmental → Ground → Unknown EF 3.1 kg 2
be02eacd-fc94-4818-87fd-fe47f03fb893 Environmental → Water → Long-term EF 3.1 kg 0
b8ef6a34-6559-4dc5-8d18-98b7492d9341 Environmental → Water → Ocean EF 3.1 kg 2
964bcaaa-0741-4f82-9179-ad832751f5da Environmental → Water → Surface water EF 3.1 kg 2
6c39df57-0898-4d77-8e0d-a7f6dfed6324 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-6aaa5142b48cffa7",
  "prefLabel": [
    {
      "@value": "Phenyl Isothiocyanate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Benzene isothiocyanate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=103-72-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, isothiocyanato-",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene-1-isothiocyanate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "isothiocyanatobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Isothiocyanic acid phenyl ester",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Isothiocyanic acid, phenyl ester",
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    },
    {
      "@value": "Phenyl mustard oil",
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    },
    {
      "@value": "Phenyl thioisocyanate",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenylsenfoel",
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      "provenance": {
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    {
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    {
      "@value": "Thiocarbanil",
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