methyl 3-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-4-oxocyclohexa-1,5-diene-1-carboxylate
Chemical Structure Depiction of
methyl 3-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-4-oxocyclohexa-1,5-diene-1-carboxylate
methyl 3-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-4-oxocyclohexa-1,5-diene-1-carboxylate
Compound characteristics
| Compound ID: | 8018-2838 |
| Compound Name: | methyl 3-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-4-oxocyclohexa-1,5-diene-1-carboxylate |
| Molecular Weight: | 287.74 |
| Molecular Formula: | C10 H6 Cl N O3 S2 |
| Smiles: | COC(C1C=CC(C(/C=1)=C1/C(=NSS1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1193 |
| logD: | 2.1193 |
| logSw: | -2.6916 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 46.033 |
| InChI Key: | WDEILBHFZUQGNA-UHFFFAOYSA-N |