CHEBI:190968 - 2-mercapto-1,3-benzoxazole

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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-mercapto-1,3-benzoxazole
ChEBI ID CHEBI:190968
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H5NOS
Net Charge 0
Average Mass 151.180
Monoisotopic Mass 151.00918
InChI InChI=1S/C7H5NOS/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,10)
InChIKey FLFWJIBUZQARMD-UHFFFAOYSA-N
SMILES S=C1OC=2C(N1)=CC=CC2
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in INS-1 cell (BTO:0002135). See: MetaboLights Study
ChEBI Ontology
Outgoing 2-mercapto-1,3-benzoxazole (CHEBI:190968) is a benzoxazole (CHEBI:46700)
IUPAC Name
3H-1,3-benzoxazole-2-thione
Manual Xrefs Databases
621391 ChemSpider
P92 PDBeChem
View more database links
Registry Number Type Source
2382-96-9 CAS Registry Number ChemIDplus