CHEBI:190045 - 2-Ethylbenzenethiol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2-Ethylbenzenethiol
ChEBI ID CHEBI:190045
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H10S
Net Charge 0
Average Mass 138.230
Monoisotopic Mass 138.05032
InChI InChI=1S/C8H10S/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
InChIKey ABROBCBIIWHVNS-UHFFFAOYSA-N
SMILES SC=1C(CC)=CC=CC1
Metabolite of Species Details
Brassica napus (NCBI:txid3708) Found in flower (BTO:0000469). See: MetaboLights Study
ChEBI Ontology
Outgoing 2-Ethylbenzenethiol (CHEBI:190045) is a thiol (CHEBI:29256)
IUPAC Name
2-ethylbenzenethiol
Manual Xrefs Databases
2964605 ChemSpider
HMDB0041361 HMDB
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Registry Number Type Source
4500-58-7 CAS Registry Number ChemIDplus