HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 1069209Generated: November 4, 2026
2-{[(3-Bromophenyl)methyl]sulfanyl}-N-(5-chloro-2-methoxyphenyl)acetamide
https://huagongshe.com/en/chemical/1069209
Identifiers & Physical Properties
| CAS No. | 5187-31-5 |
|---|
| Molecular formula | C16H15BrClNO2S |
|---|
| Average molar mass | 400.7 g/mol |
|---|
| Monoisotopic mass | 398.96954 g/mol |
|---|
| SMILES | COc1ccc(Cl)cc1NC(=O)CSCc1cccc(Br)c1 |
|---|
| InChIKey | MWTMBEIQGTTWAH-UHFFFAOYSA-N |
|---|
| PubChem CID | 1069209 |
|---|
| DTXSID | DTXSID00360035 |
|---|
Chemical & Physical Properties
| XLogP | 4.6 |
|---|
| Topological polar surface area | 63.6 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 3 |
|---|
| Rotatable bonds | 6 |
|---|
| Heavy atoms | 22 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 361 |
|---|
![2-{[(3-Bromophenyl)methyl]sulfanyl}-N-(5-chloro-2-methoxyphenyl)acetamide molecular structure](/img/chemical/1069209.png)