TL;DR: 1-chloro-3-(1H-imidazol-2-ylsulfanyl)propan-2-ol (CAS 143746-39-8) is a chemical compound with molecular formula C6H9ClN2OS and molecular weight 192.0124 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-3-(1H-imidazol-2-ylsulfanyl)propan-2-ol
Also Known As: 2-Propanol, 1-chloro-3-(1H-imidazol-2-ylthio)-, 1-chloro-3-(1H-imidazol-2-ylsulfanyl)propan-2-ol
| Molecular Formula | C6H9ClN2OS |
| Molecular Weight | 192.0124 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 74.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.0124 Da |
| Heavy Atoms | 11 |
| Complexity | 117.0 |
| SMILES | C1=CN=C(N1)SCC(CCl)O |
| InChIKey | QBWCMVOTDVFFMY-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-chloro-3-(1H-imidazol-2-ylsulfanyl)propan-2-ol. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-chloro-3-(1H-imidazol-2-ylsulfanyl)propan-2-ol. Following Lipinski's Rule of Five, 1-chloro-3-(1H-imidazol-2-ylsulfanyl)propan-2-ol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-chloro-3-(1H-imidazol-2-ylsulfanyl)propan-2-ol is 143746-39-8.
The molecular formula of 1-chloro-3-(1H-imidazol-2-ylsulfanyl)propan-2-ol is C6H9ClN2OS.
The molecular weight of 1-chloro-3-(1H-imidazol-2-ylsulfanyl)propan-2-ol is 192.0124 g/mol.
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