U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H16N4OS2.ClH
Molecular Weight 332.873
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIOTHIAMINE HYDROCHLORIDE

SMILES

Cl.CC1=C(CCO)SC(=S)N1CC2=C(N)N=C(C)N=C2

InChI

InChIKey=NHFMLLXRGZBGQO-UHFFFAOYSA-N
InChI=1S/C12H16N4OS2.ClH/c1-7-10(3-4-17)19-12(18)16(7)6-9-5-14-8(2)15-11(9)13;/h5,17H,3-4,6H2,1-2H3,(H2,13,14,15);1H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
THIOTHIAMINE HYDROCHLORIDE
Common Name English
2(3H)-THIAZOLETHIONE, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-, MONOHYDROCHLORIDE
Preferred Name English
4-THIAZOLINE-2-THIONE, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-, HYDROCHLORIDE
Systematic Name English
NSC-514427
Code English
Code System Code Type Description
EPA CompTox
DTXSID10714606
Created by admin on Mon Mar 31 18:14:52 GMT 2025 , Edited by admin on Mon Mar 31 18:14:52 GMT 2025
PRIMARY
NSC
514427
Created by admin on Mon Mar 31 18:14:52 GMT 2025 , Edited by admin on Mon Mar 31 18:14:52 GMT 2025
PRIMARY
FDA UNII
NE9DOJ7QF6
Created by admin on Mon Mar 31 18:14:52 GMT 2025 , Edited by admin on Mon Mar 31 18:14:52 GMT 2025
PRIMARY
CAS
2443-50-7
Created by admin on Mon Mar 31 18:14:52 GMT 2025 , Edited by admin on Mon Mar 31 18:14:52 GMT 2025
PRIMARY
PUBCHEM
54607849
Created by admin on Mon Mar 31 18:14:52 GMT 2025 , Edited by admin on Mon Mar 31 18:14:52 GMT 2025
PRIMARY
PARENT (SALT/SOLVATE)
Structure of THIOTHIAMINE
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966