Acetic acid,2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-, ethyl ester structure
|
Common Name | Acetic acid,2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-, ethyl ester | ||
|---|---|---|---|---|
| CAS Number | 6954-33-2 | Molecular Weight | 245.25600 | |
| Density | 1.43g/cm3 | Boiling Point | 426.4ºC at 760mmHg | |
| Molecular Formula | C8H11N3O4S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 211.7ºC | |
| Name | 4-Nitro-5-carbaethoxymethylmercapto-1-methyl-imidazol |
|---|---|
| Synonym | More Synonyms |
| Density | 1.43g/cm3 |
|---|---|
| Boiling Point | 426.4ºC at 760mmHg |
| Molecular Formula | C8H11N3O4S |
| Molecular Weight | 245.25600 |
| Flash Point | 211.7ºC |
| Exact Mass | 245.04700 |
| PSA | 115.24000 |
| LogP | 1.50670 |
| Index of Refraction | 1.611 |
| InChIKey | YNDYDPYXEQAIMP-UHFFFAOYSA-N |
| SMILES | CCOC(=O)CSc1c([N+](=O)[O-])ncn1C |
|
~74%
Acetic acid,2-[... CAS#:6954-33-2 |
| Literature: Crawford, Duncan J. K.; Maddocks, John L.; Jones, D. Neville; Szawlowski, Paul Journal of Medicinal Chemistry, 1996 , vol. 39, # 14 p. 2690 - 2695 |
| Precursor 2 | |
|---|---|
| DownStream 0 | |
| 5-bromo-2-methyl-4-nitro-pyridine 1-oxide |
| 4-nitro-5-bromo-2-picoline N-oxide |
| 5-bromo-4-nitro-2-methylpyridine-N-oxide |
| 5-bromo-2-methyl-4-nitro-pyridine N-oxide |