4-(benzylsulfanyl)-3-chloro-6-nitro-1,2-benzothiazole
Chemical Structure Depiction of
4-(benzylsulfanyl)-3-chloro-6-nitro-1,2-benzothiazole
4-(benzylsulfanyl)-3-chloro-6-nitro-1,2-benzothiazole
Compound characteristics
| Compound ID: | 8008-7351 |
| Compound Name: | 4-(benzylsulfanyl)-3-chloro-6-nitro-1,2-benzothiazole |
| Molecular Weight: | 336.82 |
| Molecular Formula: | C14 H9 Cl N2 O2 S2 |
| Smiles: | C(c1ccccc1)Sc1cc(cc2c1c(ns2)[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4876 |
| logD: | 4.4876 |
| logSw: | -4.7671 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.206 |
| InChI Key: | MEGJYWOJTUZWNZ-UHFFFAOYSA-N |