methyl 4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate
methyl 4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | 8009-8980 |
| Compound Name: | methyl 4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 280.36 |
| Molecular Formula: | C12 H12 N2 O2 S2 |
| Smiles: | Cc1nnc(SCc2ccc(cc2)C(=O)OC)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.4921 |
| logD: | 2.4921 |
| logSw: | -2.3928 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.812 |
| InChI Key: | IJCRIPJXXKVIQV-UHFFFAOYSA-N |