CHEBI:31734 - Isothipendyl hydrochloride

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ChEBI Name Isothipendyl hydrochloride
ChEBI ID CHEBI:31734
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C16H19N3S.HCl
C16H20ClN3S
Net Charge 0
Average Mass 321.870
Monoisotopic Mass 321.10665
InChI InChI=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
InChIKey RQHCFTORMXCNGP-UHFFFAOYSA-N
SMILES C=1C=C2C(SC3=C(N=CC=C3)N2CC(N(C)C)C)=CC1.Cl
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Isothipendyl hydrochloride (CHEBI:31734) is a aromatic amine (CHEBI:33860)
Isothipendyl hydrochloride (CHEBI:31734) is a tertiary amino compound (CHEBI:50996)
Synonym Source
Isothipendyl hydrochloride KEGG COMPOUND
Manual Xref Database
D01143 KEGG DRUG
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Registry Number Type Source
1225-60-1 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017