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Description

Thiothiamine · CAS 299-35-4 · C12H16N4OS2. UNII J8QL0N8LM4.

Identification

CAS Registry Number	299-35-4
PubChem CID	67530
Molecular formula	C12H16N4OS2
IUPAC name	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione
UNII (FDA)	J8QL0N8LM4

Computed Descriptors

Molecular Weight	296.4
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	296.07655349
Monoisotopic Mass	296.07655349
Topological Polar Surface Area	133
Heavy Atom Count	19
Formal Charge	0

GHS Hazard Classification

Reported hazard statements	H319 (100%)

Synonyms

Thiothiamine; 299-35-4; Thioxothiamine; Thiothiamin; J8QL0N8LM4; Thiamin Thiothiazolone; 3-(4-Amino-2-methylpyrimidin-5-ylmethyl)-5-(2-hydroxyethyl)-4-methylthiazole-2(3H)-thione; DTXSID60184012; EINECS 206-077-9; THIOXOTHIAMINE [EP IMPURITY]; 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-2(3H)-thiazolethione; EC 206-077-9; THIAMINE NITRATE IMPURITY E [EP IMPURITY]; THIAMINE HYDROCHLORIDE IMPURITY E [EP IMPURITY]; THIOXOTHIAMINE (EP IMPURITY); 2(3H)-THIAZOLETHIONE, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-

Frequently Asked Questions

What are the CAS number and molecular formula of Thiothiamine?

CAS 299-35-4; molecular formula C12H16N4OS2; molecular weight — g/mol.

What other names is Thiothiamine known by?

Thiothiamine, 299-35-4, Thioxothiamine, Thiothiamin, J8QL0N8LM4, Thiamin Thiothiazolone.

Is Thiothiamine classified as hazardous?

Hazard statements reported: H319.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.