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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16N4OS2.ClH
Molecular Weight 332.8751
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIOTHIAMINE HYDROCHLORIDE

SMILES

Cc1c(CCO)sc(=S)n1Cc2cnc(C)[nH]c2=N.Cl

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

Molecular Formula ClH
Molecular Weight 36.4609
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H16N4OS2
Molecular Weight 296.4143
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 21:50:11 UTC 2021
Edited
by admin
on Fri Jun 25 21:50:11 UTC 2021
Record UNII
NE9DOJ7QF6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIOTHIAMINE HYDROCHLORIDE
Common 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
2(3H)-THIAZOLETHIONE, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-, MONOHYDROCHLORIDE
Common Name English
Code System Code Type Description
FDA UNII
NE9DOJ7QF6
Created by admin on Fri Jun 25 21:50:11 UTC 2021 , Edited by admin on Fri Jun 25 21:50:11 UTC 2021
PRIMARY
CAS
2443-50-7
Created by admin on Fri Jun 25 21:50:11 UTC 2021 , Edited by admin on Fri Jun 25 21:50:11 UTC 2021
PRIMARY
PUBCHEM
54607849
Created by admin on Fri Jun 25 21:50:11 UTC 2021 , Edited by admin on Fri Jun 25 21:50:11 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE