HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 58717455Generated: November 2, 2026
(1R*,2R*)-2-[5-(4-Chloro-phenyl)-3-methyl-3H-[1,3,4]thiadiazol-2-ylideneamino]-cyclohexanol
https://huagongshe.com/en/chemical/58717455
Identifiers & Physical Properties
| Molecular formula | C15H18ClN3OS |
|---|
| Average molar mass | 323.8 g/mol |
|---|
| Monoisotopic mass | 323.0859111 g/mol |
|---|
| SMILES | Cn1nc(-c2ccc(Cl)cc2)sc1=N[C@@H]1CCCC[C@H]1O |
|---|
| InChIKey | OBXWBHMXSZGLKZ-CHWSQXEVSA-N |
|---|
| PubChem CID | 58717455 |
|---|
Chemical & Physical Properties
| XLogP | 3.5 |
|---|
| Topological polar surface area | 73.5 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 4 |
|---|
| Rotatable bonds | 2 |
|---|
| Heavy atoms | 21 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 435 |
|---|
![(1R*,2R*)-2-[5-(4-Chloro-phenyl)-3-methyl-3H-[1,3,4]thiadiazol-2-ylideneamino]-cyclohexanol molecular structure](/img/chemical/58717455.png)