Vitamin B1 (CAS 59-43-8) — formula C12H17ClN4OS, molecular weight 300.08 g/mol; category food additives.
Vitamin B1 is a food-grade compound with CAS registry number 59-43-8 and molecular formula C12H17ClN4OS (molecular weight 300.08 g/mol), belonging to the food additives segment of chemical raw materials.
CAS number: 59-43-8
Its molecular formula C12H17ClN4OS comprises 12 C, 17 H, 1 Cl, 4 N, 1 O, 1 S atoms.
Also known as: Vitamin B1 · thiamine
Category: food additives
The CAS registry number of Vitamin B1 is 59-43-8.
Molecular formula C12H17ClN4OS, molecular weight 300.08 g/mol.
It is also registered under: Vitamin B1, thiamine.
Category: Nutrition Enhancers.
Public-database records for Vitamin B1 (CAS 59-43-8), reproduced here for independent cross-checking.
| CAS 号 | 59-43-8 |
|---|---|
| PubChem CID | 6042 |
| 分子式 | C12H17ClN4OS |
| 分子量 | 300.08 g/mol |
| IUPAC 名称 | 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol chloride |
| InChIKey | MYVIATVLJGTBFV-UHFFFAOYSA-M |
| UNII（FDA） | X66NSO3N35 |
| ChEBI 编号 | CHEBI:33283 |
Thiamine chloride; 3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride; thiamine(1+) chloride; Thiamine (INN); MFCD00044586; 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride; THIAMINE [INN]; Thiamine (Vit B1); Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-chloride; Thiamine [INN:BAN]; Thiaminum [INN-Latin]; Tiamina [INN-Spanish]; 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol chloride; CCRIS 5823; HSDB 220; EINECS 200-425-3
| 分子量 | 300.81 |
|---|---|
| 氢键供体数 | 2 |
| 氢键受体数 | 6 |
| 可旋转键数 | 4 |
| 精确质量 | 300.0811600 |
| 单同位素质量 | 300.0811600 |
| 拓扑极性表面积 | 104 |
| 重原子数 | 19 |
| 形式电荷 | 0 |
| 复杂度 | 268 |
硫胺素 的 CAS 号为 59-43-8，分子式 C12H17ClN4OS，分子量 300.08 g/mol。 UNII X66NSO3N35; ChEBI 33283; InChIKey MYVIATVLJGTBFV-UHFFFAOYSA-M.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.