2-cyano-3-(4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}thiophen-2-yl)prop-2-enethioamide
Chemical Structure Depiction of
2-cyano-3-(4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}thiophen-2-yl)prop-2-enethioamide
2-cyano-3-(4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}thiophen-2-yl)prop-2-enethioamide
Compound characteristics
| Compound ID: | 8020-4624 |
| Compound Name: | 2-cyano-3-(4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}thiophen-2-yl)prop-2-enethioamide |
| Molecular Weight: | 322.43 |
| Molecular Formula: | C11 H10 N6 S3 |
| Smiles: | Cn1c(nnn1)SCc1cc(\C=C(/C#N)C(N)=S)sc1 |
| Stereo: | ACHIRAL |
| logP: | 1.3573 |
| logD: | 1.3573 |
| logSw: | -1.7286 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.838 |
| InChI Key: | MXQUFPBVQLSMIR-UHFFFAOYSA-N |