S-(1-phenyl-1H-tetrazol-5-yl) 4-methylbenzene-1-carbothioate
Chemical Structure Depiction of
S-(1-phenyl-1H-tetrazol-5-yl) 4-methylbenzene-1-carbothioate
S-(1-phenyl-1H-tetrazol-5-yl) 4-methylbenzene-1-carbothioate
Compound characteristics
| Compound ID: | 3346-4250 |
| Compound Name: | S-(1-phenyl-1H-tetrazol-5-yl) 4-methylbenzene-1-carbothioate |
| Molecular Weight: | 296.35 |
| Molecular Formula: | C15 H12 N4 O S |
| Smiles: | Cc1ccc(cc1)C(=O)Sc1nnnn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7577 |
| logD: | 3.7577 |
| logSw: | -3.9601 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.161 |
| InChI Key: | ICLRGHUWMBWFFQ-UHFFFAOYSA-N |