methyl 2-cyano-3-{4-[(1-methyl-1H-tetrazole-5-sulfinyl)methyl]thiophen-2-yl}prop-2-enoate
Chemical Structure Depiction of
methyl 2-cyano-3-{4-[(1-methyl-1H-tetrazole-5-sulfinyl)methyl]thiophen-2-yl}prop-2-enoate
methyl 2-cyano-3-{4-[(1-methyl-1H-tetrazole-5-sulfinyl)methyl]thiophen-2-yl}prop-2-enoate
Compound characteristics
| Compound ID: | 8020-4382 |
| Compound Name: | methyl 2-cyano-3-{4-[(1-methyl-1H-tetrazole-5-sulfinyl)methyl]thiophen-2-yl}prop-2-enoate |
| Molecular Weight: | 337.38 |
| Molecular Formula: | C12 H11 N5 O3 S2 |
| Smiles: | Cn1c(nnn1)S(Cc1cc(\C=C(/C#N)C(=O)OC)sc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8064 |
| logD: | 0.8064 |
| logSw: | -1.6973 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 95.342 |
| InChI Key: | OGZKBZFEPQFZND-UHFFFAOYSA-N |