HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Methyl-1,5-benzothiazepin-4(5H)-one
2-methyl-1,5-benzothiazepin-4(5H)-one · 1,5-Benzothiazepin-4(5H)-one, 2-methyl-
Identifiers & Physical Properties
| CAS No. | 63870-02-0 |
|---|---|
| Molecular formula | C10H9NOS |
| Average molar mass | 191.25 g/mol |
| Monoisotopic mass | 191.04048508 g/mol |
| SMILES | CC1=CC(=O)Nc2ccccc2S1 |
| InChIKey | XMCREDZXYDRQBF-UHFFFAOYSA-N |
| PubChem CID | 44913 |
| ChEMBL | CHEMBL1891352 |
| EC No. | 264-521-7 |
| DTXSID | DTXSID10213386 |
Chemical & Physical Properties
| XLogP | 1.9 |
|---|---|
| Topological polar surface area | 54.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 249 |
| FDA UNII | L97VEW4UQU |