BECLOTIAMINE (CAS 13471-78-8) — formula C12H16Cl2N4S, molecular weight 319.3; category organic chemicals.
| CAS Number | 13471-78-8 |
|---|---|
| Molecular Formula | C12H16Cl2N4S |
| Molecular Weight | 319.3 |
| Category | Organic Chemicals |
BECLOTIAMINE is a carbon-based organic compound with CAS registry number 13471-78-8 and molecular formula C12H16Cl2N4S (molecular weight 319.3), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 13471-78-8
Its molecular formula C12H16Cl2N4S comprises 12 C, 16 H, 2 Cl, 4 N, 1 S atoms.
Also known as: BECLOTIAMINE · 维生素B1杂质3
Category: organic chemicals
The CAS registry number of BECLOTIAMINE is 13471-78-8.
Molecular formula C12H16Cl2N4S, molecular weight 319.3.
It is also registered under: BECLOTIAMINE, 维生素B1杂质3.
Category: Organic Chemicals.
Independent reference data for BECLOTIAMINE (CAS 13471-78-8), compiled from public chemistry databases.
| CAS 号 | 13471-78-8 |
|---|---|
| PubChem CID | 71858 |
| 分子式 | C12H16Cl2N4S |
| IUPAC 名称 | 5-[[5-(2-chloroethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methylpyrimidin-4-amine chloride |
| UNII（FDA） | 858M12945S |
| Molecular Weight | 319.3 |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 318.0472731 |
| Monoisotopic Mass | 318.0472731 |
| Topological Polar Surface Area | 83.9 |
| Heavy Atom Count | 19 |
Beclotiamine; Beclotiamina; 13471-78-8; Beclotiaminum; 858M12945S; Chloroethyl thiamine; beclotiamine chloride; 3-(4-Amino-2-methyl-5-pyrimidinylmethyl)-5-(2-chloroethyl)-4-methylthiazoliumhydroxide; RefChem:116864; 4W25FR6CGB; Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-chloroethyl)-4-methyl-; Beclotiamine [INN]; 5-[[5-(2-chloroethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methylpyrimidin-4-amine;chloride; Chlorethylthiamine; 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-chloroethyl)-4-methylthiazolium chloride; 5-[[5-(2-chloroethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methylpyrimidin-4-amine chloride
维生素B1杂质3 · CAS 13471-78-8 · C12H16Cl2N4S. UNII 858M12945S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 维生素B1杂质3