1-methyl-5-{[3-(4-nitrophenyl)prop-2-en-1-yl]sulfanyl}-1H-tetrazole
Chemical Structure Depiction of
1-methyl-5-{[3-(4-nitrophenyl)prop-2-en-1-yl]sulfanyl}-1H-tetrazole
1-methyl-5-{[3-(4-nitrophenyl)prop-2-en-1-yl]sulfanyl}-1H-tetrazole
Compound characteristics
| Compound ID: | 8008-5020 |
| Compound Name: | 1-methyl-5-{[3-(4-nitrophenyl)prop-2-en-1-yl]sulfanyl}-1H-tetrazole |
| Molecular Weight: | 277.3 |
| Molecular Formula: | C11 H11 N5 O2 S |
| Smiles: | Cn1c(nnn1)SC/C=C/c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.395 |
| logD: | 2.395 |
| logSw: | -2.5335 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.692 |
| InChI Key: | LRBYLQHHFWQXNZ-UHFFFAOYSA-N |