6-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-4-methoxycyclohexa-2,4-dien-1-one
Chemical Structure Depiction of
6-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-4-methoxycyclohexa-2,4-dien-1-one
6-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-4-methoxycyclohexa-2,4-dien-1-one
Compound characteristics
| Compound ID: | 8018-2533 |
| Compound Name: | 6-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-4-methoxycyclohexa-2,4-dien-1-one |
| Molecular Weight: | 259.73 |
| Molecular Formula: | C9 H6 Cl N O2 S2 |
| Smiles: | COC1C=CC(C(/C=1)=C1/C(=NSS1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9792 |
| logD: | 1.9792 |
| logSw: | -2.5888 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 32.151 |
| InChI Key: | OXNXRRYIRPHTIS-UHFFFAOYSA-N |