Thiothiamine

Modify Date: 2025-08-25 15:26:14

Thiothiamine Structure
Thiothiamine structure
Common Name Thiothiamine
CAS Number 299-35-4 Molecular Weight 296.41200
Density 1.42g/cm3 Boiling Point 509.6ºC at 760mmHg
Molecular Formula C12H16N4OS2 Melting Point N/A
MSDS N/A Flash Point 262ºC

 Names

Name Thiothiamine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.42g/cm3
Boiling Point 509.6ºC at 760mmHg
Molecular Formula C12H16N4OS2
Molecular Weight 296.41200
Flash Point 262ºC
Exact Mass 296.07700
PSA 137.29000
LogP 2.43240
Vapour Pressure 3.28E-11mmHg at 25°C
Index of Refraction 1.709
InChIKey SQOCQQPFEFRKBV-UHFFFAOYSA-N
SMILES Cc1ncc(Cn2c(C)c(CCO)sc2=S)c(N)n1

 Safety Information

Hazard Codes Xi

 Synonyms

3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazol-2(3H)-thione
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione
Thiamine impurity E
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