CHEBI:167852 - 4-(methylthio) aniline

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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 4-(methylthio) aniline
ChEBI ID CHEBI:167852
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H9NS
Net Charge 0
Average Mass 139.220
Monoisotopic Mass 139.04557
InChI InChI=1S/C7H9NS/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
InChIKey YKFROQCFVXOUPW-UHFFFAOYSA-N
SMILES S(C1=CC=C(N)C=C1)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing 4-(methylthio) aniline (CHEBI:167852) is a aryl sulfide (CHEBI:35683)
IUPAC Name
4-methylsulanylaniline
Manual Xrefs Databases
21111821 ChemSpider
4JM PDBeChem
View more database links
Registry Number Type Source
104-96-1 CAS Registry Number ChemIDplus