CAS Number70-16-6
Synonyms3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium; Vitamin B1 (Thiamine); thiamine cation; VITAMIN B1; Thiamine; 5-(2-Hydroxyethyl)-3-[(6-imino-2-methyl-1,6-dihydro-5-pyrimidinyl)methyl]-4-methyl-1,3-thiazol-3-ium
Molecular FormulaC12H17N4OS+
Molecular Weight337.27
Purity98.00%%
Melting Point250ºC (dec.)(lit.)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 70-16-6 |
| Catalog No. | 2A-9093645 |
| Chinese Name | 维生素b1 |
| Synonyms | 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium; Vitamin B1 (Thiamine); thiamine cation; VITAMIN B1; Thiamine; 5-(2-Hydroxyethyl)-3-[(6-imino-2-methyl-1,6-dihydro-5-pyrimidinyl)methyl]-4-methyl-1,3-thiazol-3-ium |
| Molecular Formula | C12H17N4OS+ |
| Molecular Weight | 337.27 |
| Purity | 98.00% |
| Melting Point | 250ºC (dec.)(lit.) |
| HTC | 2936220000 |
| PubChem ID | 329830973 |
| SMILES | Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1 |
| InChI | InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1 |
| InChI Key | JZRWCGZRTZMZEH-UHFFFAOYSA-N |
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