[4-(pentyloxy)phenyl]methyl carbamimidothioate--hydrogen chloride (1/1)
Chemical Structure Depiction of
[4-(pentyloxy)phenyl]methyl carbamimidothioate--hydrogen chloride (1/1)
[4-(pentyloxy)phenyl]methyl carbamimidothioate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 4298-0371 |
| Compound Name: | [4-(pentyloxy)phenyl]methyl carbamimidothioate--hydrogen chloride (1/1) |
| Molecular Weight: | 288.84 |
| Molecular Formula: | C13 H20 N2 O S |
| Salt: | HCl |
| Smiles: | CCCCCOc1ccc(CSC(N)=N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0886 |
| logD: | 0.6839 |
| logSw: | -3.1314 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 47.427 |
| InChI Key: | GWQPPHVDGYSKRY-UHFFFAOYSA-N |