2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-[(3-nitrophenyl)methyl]ethan-1-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-[(3-nitrophenyl)methyl]ethan-1-amine--hydrogen chloride (1/1)
2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-[(3-nitrophenyl)methyl]ethan-1-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8104-06072 |
| Compound Name: | 2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-[(3-nitrophenyl)methyl]ethan-1-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 330.79 |
| Molecular Formula: | C11 H14 N6 O2 S |
| Salt: | HCl |
| Smiles: | [H]N(CCSc1nnnn1C)Cc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.7673 |
| logD: | -1.473 |
| logSw: | -2.1665 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.571 |
| InChI Key: | TZYAZKBYJLLSGS-UHFFFAOYSA-N |