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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16N4OS2
Molecular Weight 296.4143
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIOTHIAMINE

SMILES

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

InChI

InChIKey=SQOCQQPFEFRKBV-UHFFFAOYSA-N
InChI=1S/C12H16N4OS2/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)

HIDE SMILES / InChI

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 Sat Jun 26 03:10:29 UTC 2021
Edited
by admin
on Sat Jun 26 03:10:29 UTC 2021
Record UNII
J8QL0N8LM4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIOTHIAMINE
Common Name English
THIOTHIAMIN
Common Name English
4-THIAZOLINE-2-THIONE, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-
Systematic Name English
THIOXOTHIAMINE
Common Name English
THIAMINE HYDROCHLORIDE IMPURITY E [EP]
Common Name English
THIAMIN THIOTHIAZOLONE
Common Name English
3-(4-AMINO-2-METHYLPYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLE-2(3H)-THIONE
Systematic Name English
THIOXOTHIAMINE [EP]
Common Name English
3-((4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-1,3-THIAZOL-2(3H)-THIONE
Common Name English
2(3H)-THIAZOLETHIONE, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-
Systematic Name English
THIAMINE NITRATE IMPURITY E [EP]
Common Name English
Code System Code Type Description
FDA UNII
J8QL0N8LM4
Created by admin on Sat Jun 26 03:10:29 UTC 2021 , Edited by admin on Sat Jun 26 03:10:29 UTC 2021
PRIMARY
PUBCHEM
67530
Created by admin on Sat Jun 26 03:10:29 UTC 2021 , Edited by admin on Sat Jun 26 03:10:29 UTC 2021
PRIMARY
CAS
299-35-4
Created by admin on Sat Jun 26 03:10:29 UTC 2021 , Edited by admin on Sat Jun 26 03:10:29 UTC 2021
PRIMARY
EPA CompTox
299-35-4
Created by admin on Sat Jun 26 03:10:29 UTC 2021 , Edited by admin on Sat Jun 26 03:10:29 UTC 2021
PRIMARY
ECHA (EC/EINECS)
206-077-9
Created by admin on Sat Jun 26 03:10:29 UTC 2021 , Edited by admin on Sat Jun 26 03:10:29 UTC 2021
PRIMARY
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