Consensus flow list

Identity

Type
Neutral molecule
CAS
108-98-5
EC
203-635-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Thiophenol

Alternative labels

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RMVRSNDYEFQCLF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
IUPAC name chemrof:IUPAC_name Thiophenol
Molecular formula chemrof:molecular_formula C6H6S
Molecular mass chemrof:molecular_mass 110.181
Monoisotopic mass chemrof:monoisotopic_mass 110.01902, 110.019021
SMILES string chemrof:smiles_string Sc1ccccc1

Known URLs

23

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=108-98-5 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=33411-63-1 enrich_references.pubchem_identifier_url
cdc.gov https://www.cdc.gov/niosh-rtecs/DC802C8.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:48498 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.306 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0463 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7026811 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=229566 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6953 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL119405 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/benzenethiol enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7K011JR4T0 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0033746 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.874F enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46184 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-8132 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7969 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2337 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/23902004 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23961762 enrich_references.chebi_xrefs
reaxys reaxys:506523 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q338965 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Thiophenol enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
734b2ba5-d68b-4904-899e-1c37eea29b3f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d8190dfd-1544-4433-a41a-a307711ce87a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2bbd4b94-60e6-4a3b-9069-6627822760bf Environmental → Air → Indoor EF 3.1 kg 2
258a407f-1246-429f-a757-2a164f60a805 Environmental → Air → Long-term EF 3.1 kg 0
8fc7ba9d-7601-42f3-a9b9-9e7b70787fab Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
def125bf-0992-4902-b3f6-899ed0224e63 Environmental → Air → Unknown EF 3.1 kg 2
60bed7fa-a6d2-4388-b5b6-ba81b5b5394f Environmental → Ground → Agricultural EF 3.1 kg 2
4b016459-aa82-44b3-89e5-1ab06c31548c Environmental → Ground → Non-agricultural EF 3.1 kg 2
bac02569-7172-40aa-aeec-87694757559a Environmental → Ground → Unknown EF 3.1 kg 2
7dc81f77-7598-427e-8d2b-669f1f803ed8 Environmental → Water → Long-term EF 3.1 kg 0
1b6912b5-573b-4374-9736-8af7c856ade3 Environmental → Water → Ocean EF 3.1 kg 2
c69486b3-dcc7-42a5-b7e7-71c31a8c1cb0 Environmental → Water → Surface water EF 3.1 kg 2
47e13f22-43fc-4718-a276-ad8250c248ef Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
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      "@language": "en",
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  "altLabel": [
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        "prov:wasDerivedFrom": "original name retained as altLabel"
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    },
    {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Phenol, thio-",
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    },
    {
      "@value": "Phenyl hydrosulfide",
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