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Details

Stereochemistry ACHIRAL
Molecular Formula C12H17N4O4S2.Cl
Molecular Weight 380.871
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIAMINE SULFATE HYDROCHLORIDE

SMILES

[Cl-].CC1=C(CCOS(O)(=O)=O)SC=[N+]1CC2=C(N)N=C(C)N=C2

InChI

InChIKey=MAAYLULZVDPJMX-UHFFFAOYSA-N
InChI=1S/C12H16N4O4S2.ClH/c1-8-11(3-4-20-22(17,18)19)21-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H2-,13,14,15,17,18,19);1H

HIDE SMILES / InChI

Molecular Formula C12H16N4O4S2
Molecular Weight 344.41
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
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 Tue Apr 01 22:47:04 GMT 2025
Edited
by admin
on Tue Apr 01 22:47:04 GMT 2025
Record UNII
94Y40T3HOG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIAMINE SULFURIC ACID ESTER
Preferred Name English
THIAMINE SULFATE HYDROCHLORIDE
Common Name English
THIAMINE, HYDROGEN SULFATE (ESTER)
Common Name English
THIAMINE, SULFATE
Common Name English
THIAZOLIUM, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-4-METHYL-5-(2-(SULFOOXY)ETHYL)-, CHLORIDE
Systematic Name English
THIAZOLIUM, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-4-METHYL-5-(2-(SULFOOXY)ETHYL)-, CHLORIDE (1:1)
Systematic Name English
2-(3-((4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL)ETHYL SULFATE
Systematic Name English
Code System Code Type Description
PUBCHEM
129318351
Created by admin on Tue Apr 01 22:47:04 GMT 2025 , Edited by admin on Tue Apr 01 22:47:04 GMT 2025
PRIMARY
CAS
15743-04-1
Created by admin on Tue Apr 01 22:47:04 GMT 2025 , Edited by admin on Tue Apr 01 22:47:04 GMT 2025
PRIMARY
FDA UNII
94Y40T3HOG
Created by admin on Tue Apr 01 22:47:04 GMT 2025 , Edited by admin on Tue Apr 01 22:47:04 GMT 2025
PRIMARY
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