1-(butanoylsulfanyl)-8-methoxy-4,4-dimethyl-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium--chloride (1/1)
Chemical Structure Depiction of
1-(butanoylsulfanyl)-8-methoxy-4,4-dimethyl-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium--chloride (1/1)
1-(butanoylsulfanyl)-8-methoxy-4,4-dimethyl-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 8006-4293 |
| Compound Name: | 1-(butanoylsulfanyl)-8-methoxy-4,4-dimethyl-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium--chloride (1/1) |
| Molecular Weight: | 401.99 |
| Molecular Formula: | C17 H20 N O2 S3 |
| Salt: | Cl- |
| Smiles: | CCCC(=O)SC1C2=C(C(C)(C)Nc3ccc(cc23)OC)S[S+]=1 |
| Stereo: | ACHIRAL |
| logP: | 5.2767 |
| logD: | 5.2767 |
| logSw: | -5.2264 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.206 |
| InChI Key: | VMYBJHJRBYJWNT-UHFFFAOYSA-N |