4,4-dimethyl-1-sulfanylidene-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-6-carboxylic acid
Chemical Structure Depiction of
4,4-dimethyl-1-sulfanylidene-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-6-carboxylic acid
4,4-dimethyl-1-sulfanylidene-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-6-carboxylic acid
Compound characteristics
| Compound ID: | Y021-1367 |
| Compound Name: | 4,4-dimethyl-1-sulfanylidene-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-6-carboxylic acid |
| Molecular Weight: | 309.43 |
| Molecular Formula: | C13 H11 N O2 S3 |
| Smiles: | CC1(C)C2=C(C(=S)SS2)c2cccc(C(O)=O)c2N1 |
| Stereo: | ACHIRAL |
| logP: | 2.9934 |
| logD: | 0.4419 |
| logSw: | -3.4083 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.038 |
| InChI Key: | OOVBIWBSQWVWPI-UHFFFAOYSA-N |