N-(1,3-benzothiazol-2-yl)-4-chloro-5H-1,2,3-dithiazol-5-imine
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-4-chloro-5H-1,2,3-dithiazol-5-imine
N-(1,3-benzothiazol-2-yl)-4-chloro-5H-1,2,3-dithiazol-5-imine
Compound characteristics
| Compound ID: | 8003-7583 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-4-chloro-5H-1,2,3-dithiazol-5-imine |
| Molecular Weight: | 285.79 |
| Molecular Formula: | C9 H4 Cl N3 S3 |
| Smiles: | c1ccc2c(c1)nc(/N=C1/C(=NSS1)[Cl])s2 |
| Stereo: | ACHIRAL |
| logP: | 3.5846 |
| logD: | 3.4383 |
| logSw: | -3.7573 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 29.1945 |
| InChI Key: | PSSKOCKSWDXEHO-UHFFFAOYSA-N |