Consensus flow list

Identity

Type
Neutral molecule
CAS
1569-69-3
EC
216-378-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Cyclohexanethiol

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CMKBCTPCXZNQKX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
IUPAC name chemrof:IUPAC_name Cyclohexanethiol
Molecular formula chemrof:molecular_formula C6H12S
Molecular mass chemrof:molecular_mass 116.229
Monoisotopic mass chemrof:monoisotopic_mass 116.065971
SMILES string chemrof:smiles_string SC1CCCCC1

Known URLs

13

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=1569-69-3 enrich_references.consensus_cas_link
cdc.gov https://www.cdc.gov/niosh-rtecs/GV72D288.html enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.014.890 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0032 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2027416 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=59723 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187982 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/N8HOD9900V enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J13.114H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15290 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3054 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q2577578 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Cyclohexanethiol enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e2ca6f2f-cd5b-4296-9489-0ac357b4fa75 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c9e40986-690d-4808-8254-0d06897d2483 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f0358ae7-8f0d-4457-b482-c3f714fc9806 Environmental → Air → Indoor EF 3.1 kg 2
d4db07de-88fa-4993-adbd-2ec619513935 Environmental → Air → Long-term EF 3.1 kg 0
cf1582b6-1d1f-4575-bfc2-63fbc4807c1d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3cb3724f-c7f3-4da4-bf79-620b712afe32 Environmental → Air → Unknown EF 3.1 kg 2
1b9e38f0-06f6-42fd-acfa-9bf82cf49686 Environmental → Ground → Agricultural EF 3.1 kg 2
c118a806-9d9c-4801-a4ee-a4b8fe09b620 Environmental → Ground → Non-agricultural EF 3.1 kg 2
e0a9a73f-5c33-4f75-8819-a5b11552c018 Environmental → Ground → Unknown EF 3.1 kg 2
a9f2eef0-16af-427f-8d0c-90e2931c2a0e Environmental → Water → Long-term EF 3.1 kg 0
efe6d2d2-4492-4cc9-9354-1a38a333d7ae Environmental → Water → Ocean EF 3.1 kg 2
9e8a659c-4d0e-4667-a58f-23f8cbcf08db Environmental → Water → Surface water EF 3.1 kg 2
d1af4fc1-ed44-472d-bc3b-61349c18dd03 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-c1bcca0aedbe8333",
  "prefLabel": [
    {
      "@value": "Cyclohexanethiol",
      "@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": "Cyclohexyl mercaptan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=1569-69-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclohexylthiol",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Mercaptocyclohexane",
      "@language": "en",
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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