ethyl 2-cyano-3-{4-[(1-methyl-1H-tetrazole-5-sulfinyl)methyl]thiophen-2-yl}prop-2-enoate
Chemical Structure Depiction of
ethyl 2-cyano-3-{4-[(1-methyl-1H-tetrazole-5-sulfinyl)methyl]thiophen-2-yl}prop-2-enoate
ethyl 2-cyano-3-{4-[(1-methyl-1H-tetrazole-5-sulfinyl)methyl]thiophen-2-yl}prop-2-enoate
Compound characteristics
| Compound ID: | 8020-4383 |
| Compound Name: | ethyl 2-cyano-3-{4-[(1-methyl-1H-tetrazole-5-sulfinyl)methyl]thiophen-2-yl}prop-2-enoate |
| Molecular Weight: | 351.4 |
| Molecular Formula: | C13 H13 N5 O3 S2 |
| Smiles: | CCOC(C(=C\c1cc(CS(c2nnnn2C)=O)cs1)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1942 |
| logD: | 1.1942 |
| logSw: | -1.9029 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 94.922 |
| InChI Key: | XHWWTEGXARGPFK-UHFFFAOYSA-N |