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Thiothiamine · CAS 299-35-4 · C12H16N4OS2. UNII J8QL0N8LM4.
| 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 |
| 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 |
| Reported hazard statements | H319 (100%) |
|---|
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
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-
CAS 299-35-4; molecular formula C12H16N4OS2; molecular weight — g/mol.
Thiothiamine, 299-35-4, Thioxothiamine, Thiothiamin, J8QL0N8LM4, Thiamin Thiothiazolone.
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.