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Details

Stereochemistry RACEMIC
Molecular Formula C12H13NS2.BrH
Molecular Weight 316.28
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIAMBUTENE HYDROBROMIDE

SMILES

Br.CC(N)C=C(C1=CC=CS1)C2=CC=CS2

InChI

InChIKey=KCAIBARBICHNIS-UHFFFAOYSA-N
InChI=1S/C12H13NS2.BrH/c1-9(13)8-10(11-4-2-6-14-11)12-5-3-7-15-12;/h2-9H,13H2,1H3;1H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3-BUTEN-2-AMINE, 4,4-DI-2-THIENYL-, HYDROBROMIDE (1:1)
Preferred Name English
THIAMBUTENE HYDROBROMIDE
Common Name English
Code System Code Type Description
CAS
1082730-80-0
Created by admin on Wed Apr 02 12:47:08 GMT 2025 , Edited by admin on Wed Apr 02 12:47:08 GMT 2025
PRIMARY
FDA UNII
7U5NJW9JHH
Created by admin on Wed Apr 02 12:47:08 GMT 2025 , Edited by admin on Wed Apr 02 12:47:08 GMT 2025
PRIMARY
PUBCHEM
155884429
Created by admin on Wed Apr 02 12:47:08 GMT 2025 , Edited by admin on Wed Apr 02 12:47:08 GMT 2025
PRIMARY
PARENT (SALT/SOLVATE)
Structure of THIAMBUTENE
NIH
NCATS
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