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CHEBI:752797 - thihexinol methylbromide

Default Structure
ChEBI IDCHEBI:752797
ChEBI Namethihexinol methylbromide
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaBr.C18H26NOS2
Net Charge0
Average Mass416.450
Monoisotopic Mass415.06392
SMILESC[N+](C)(C)C1CCC(C(O)(c2cccs2)c2cccs2)CC1.[Br-]
InChIInChI=1S/C18H26NOS2.BrH/c1-19(2,3)15-10-8-14(9-11-15)18(20,16-6-4-12-21-16)17-7-5-13-22-17;/h4-7,12-15,20H,8-11H2,1-3H3;1H/q+1;/p-1
InChIKeyKDBBCFRGLKZRQJ-UHFFFAOYSA-M
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
thihexinol methylbromide (CHEBI:752797) is a amine (CHEBI:32952)
INNs  Source
methylbromure de thihexinolWHO MedNet
metilbromuro de tihexinolWHO MedNet
thihexinol methylbromideWHO MedNet
Synonym  Source
Methyl thihexinolium bromideChEMBL