methyl 4-{[(4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]methyl}benzoate
methyl 4-{[(4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | 8010-5444 |
| Compound Name: | methyl 4-{[(4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 267.37 |
| Molecular Formula: | C12 H13 N O2 S2 |
| Smiles: | COC(c1ccc(CSC2=NCCS2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.881 |
| logD: | 2.8769 |
| logSw: | -3.0994 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 30.8544 |
| InChI Key: | LGQKIMQROHFJGL-UHFFFAOYSA-N |