3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]thiazolium (CAS 10023-48-0) — formula C12H18N4O4PS+, molecular weight 345.34; category organic chemicals.
| CAS Number | 10023-48-0 |
|---|---|
| Molecular Formula | C12H18N4O4PS+ |
| Molecular Weight | 345.34 |
| LogP | -0.1 |
| Category | Organic Chemicals |
3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]thiazolium is a carbon-based organic compound with CAS registry number 10023-48-0 and molecular formula C12H18N4O4PS+ (molecular weight 345.34), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 10023-48-0
Its molecular formula C12H18N4O4PS+ comprises 12 C, 18 H, 4 N, 4 O, 1 P, 1 S atoms.
Also known as: 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]thiazolium · 维生素B1杂质
Category: organic chemicals
The CAS registry number of 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]thiazolium is 10023-48-0.
Molecular formula C12H18N4O4PS+, molecular weight 345.34.
It is also registered under: 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]thiazolium, 维生素B1杂质.
Category: Organic Chemicals.
Independent reference data for 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]thiazolium (CAS 10023-48-0), compiled from public chemistry databases.
| CAS 号 | 10023-48-0 |
|---|---|
| PubChem CID | 1131 |
| 分子式 | C12H18N4O4PS+ |
| IUPAC 名称 | 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate |
| UNII（FDA） | NS00022956 |
| Molecular Weight | 345.34 |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 345.07863824 |
| Monoisotopic Mass | 345.07863824 |
| Topological Polar Surface Area | 151 |
| Heavy Atom Count | 22 |
| Collision Cross Section | 179.9 Ų [M-2H+Na]- |
|---|---|
| Collision Cross Section | 171.1 Ų [M+H]+ |
| Collision Cross Section | 177.4 Ų [M+Na]+ |
| Collision Cross Section | 174 Ų [M-2H+Na]- |
3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]thiazolium; 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(2-(phosphonooxy)ethyl)thiazolium; RefChem:488545; thiamin phosphate; 10023-48-0; thiamin monophosphate; ThMP; Phosphothiaminum; Tiamina monofosfato; 3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-5-(2-(phosphonooxy)ethyl)thiazol-3-ium; 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate; NCGC00164500-01; Aneurine monophosphate; Thiamin dihydrogenphosphate; bmse000699; SCHEMBL94444
| 已通报的危害声明 | H317 (100%) |
|---|
维生素B1杂质 · CAS 10023-48-0 · C12H18N4O4PS+. UNII NS00022956. Collision Cross Section: 179.9 Ų [M-2H+Na]-; Collision Cross Section: 171.1 Ų [M+H]+; Collision Cross Section: 177.4 Ų [M+Na]+.
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