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CHEBI:31734 - Isothipendyl hydrochloride

ChEBI IDCHEBI:31734
ChEBI NameIsothipendyl hydrochloride
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC16H19N3S.HCl
Net Charge0
Average Mass321.877
Monoisotopic Mass321.10665
SMILESCC(CN1c2ccccc2Sc2cccnc21)N(C)C.Cl
InChIInChI=1S/C16H19N3S.ClH/c1-12(18(2)3)11-19-13-7-4-5-8-14(13)20-15-9-6-10-17-16(15)19;/h4-10,12H,11H2,1-3H3;1H
InChIKeyRQHCFTORMXCNGP-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Isothipendyl hydrochloride (CHEBI:31734) is a aromatic amine (CHEBI:33860)
Isothipendyl hydrochloride (CHEBI:31734) is a tertiary amino compound (CHEBI:50996)
Synonym  Source
Isothipendyl hydrochlorideKEGG COMPOUND
Manual XrefsDatabases
D01143KEGG DRUG
Registry NumbersSources
CAS:1225-60-1KEGG COMPOUND