Introduction:Basic information about CAS 70-16-6|Thiamine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Thiamine |
|---|
| CAS Number | 70-16-6 | Molecular Weight | 265.354 |
|---|
| Density | / | Boiling Point | / |
|---|
| Molecular Formula | C12H17N4OS+ | Melting Point | 250ºC (dec.)(lit.) |
|---|
| MSDS | / | Flash Point | / |
|---|
Names
| Name | Thiamine ion |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Melting Point | 250ºC (dec.)(lit.) |
|---|
| Molecular Formula | C12H17N4OS+ |
|---|
| Molecular Weight | 265.354 |
|---|
| Exact Mass | 265.111755 |
|---|
| PSA | 104.15000 |
|---|
| LogP | 1.18890 |
|---|
| InChIKey | JZRWCGZRTZMZEH-UHFFFAOYSA-N |
|---|
| SMILES | Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1 |
|---|
Safety Information
| Safety Phrases | S22-S24/25 |
|---|
| HS Code | 2936220000 |
|---|
Customs
Synonyms
| 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium |
| Thiazolium, 3-[(1,6-dihydro-6-imino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl- |
| Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl- |
| 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 |