HuagongsheHuagongshe Chemistry Print Report · For research reference only
Aniline, 2,6-dichloro-4-thiocyanato-
4-Amino-3,5-dichlorophenyl thiocyanate · Thiocyanic acid, 4-amino-3,5-dichlorophenyl ester
Identifiers & Physical Properties
| CAS No. | 14030-85-4 |
|---|---|
| Molecular formula | C7H4Cl2N2S |
| Average molar mass | 219.09 g/mol |
| Monoisotopic mass | 217.9472247 g/mol |
| SMILES | N#CSc1cc(Cl)c(N)c(Cl)c1 |
| InChIKey | VJUNBEHHFKUMHW-UHFFFAOYSA-N |
| PubChem CID | 26413 |
| DTXSID | DTXSID40161306 |
Chemical & Physical Properties
| XLogP | 3.6 |
|---|---|
| Topological polar surface area | 75.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 191 |