tert-butyl 7-chloro-3-propan-2-yl-2-sulfanylidene-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate
Modify Date: 2025-10-13 22:57:26
tert-butyl 7-chloro-3-propan-2-yl-2-sulfanylidene-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate structure
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Common Name | tert-butyl 7-chloro-3-propan-2-yl-2-sulfanylidene-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate | ||
|---|---|---|---|---|
| CAS Number | 258850-00-9 | Molecular Weight | 354.89500 | |
| Density | 1.24g/cm3 | Boiling Point | 446.6ºC at 760mmHg | |
| Molecular Formula | C17H23ClN2O2S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 223.9ºC | |
| Name | tert-butyl 7-chloro-3-propan-2-yl-2-sulfanylidene-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate |
|---|---|
| Synonym | More Synonyms |
| Density | 1.24g/cm3 |
|---|---|
| Boiling Point | 446.6ºC at 760mmHg |
| Molecular Formula | C17H23ClN2O2S |
| Molecular Weight | 354.89500 |
| Flash Point | 223.9ºC |
| Exact Mass | 354.11700 |
| PSA | 73.66000 |
| LogP | 4.93050 |
| Vapour Pressure | 3.61E-08mmHg at 25°C |
| Index of Refraction | 1.592 |
| InChIKey | NJYFLGPUNPYWTO-UHFFFAOYSA-N |
| SMILES | CC(C)C1C(=S)Nc2ccc(Cl)cc2CN1C(=O)OC(C)(C)C |
| 4H-1,4-Benzodiazepine-4-carboxylic acid,7-chloro-1,2,3,5-tetrahydro-3-(1-methylethyl)-2-thioxo-,1,1-dimethylethyl ester |
| 7-Chloro-3-isopropyl-2-thioxo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester |