1-(4-chlorophenyl)-1H-imidazole-2-thiol
TL;DR: 1-(4-chlorophenyl)-1H-imidazole-2-thiol (CAS 17452-13-0) is a chemical compound with molecular formula C9H7ClN2S and molecular weight 210.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-1H-imidazole-2-thione
Also Known As: 1-(4-chlorophenyl)-1H-imidazole-2-thiol, CYCLOOCTENE, chlorophenylimidazolethiol, 1-(4-Chlorophenyl)-1H-imidazole-2(3H)-thione, 3-(4-chlorophenyl)-1H-imidazole-2-thione
| Molecular Formula | C9H7ClN2S |
|---|---|
| Molecular Weight | 210.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 47.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.00185 |
| Heavy Atoms | 13 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 17452-13-0 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C=CNC2=S)Cl |
| InChIKey | QJWMVYCYPCPSKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-chlorophenyl)-1H-imidazole-2-thiol (CAS 17452-13-0), with molecular formula C9H7ClN2S and molecular weight 210.00 g/mol. IUPAC: 3-(4-chlorophenyl)-1H-imidazole-2-thione.
Chemical Property Profile of 1-(4-chlorophenyl)-1H-imidazole-2-thiol
Property Insights of 1-(4-chlorophenyl)-1H-imidazole-2-thiol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chlorophenyl)-1H-imidazole-2-thiol. With a topological polar surface area (TPSA) of 47.4 Ų, 1-(4-chlorophenyl)-1H-imidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-1H-imidazole-2-thiol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-chlorophenyl)-1H-imidazole-2-thiol?
The CAS number of 1-(4-chlorophenyl)-1H-imidazole-2-thiol is 17452-13-0.
What is the molecular formula of 1-(4-chlorophenyl)-1H-imidazole-2-thiol?
The molecular formula of 1-(4-chlorophenyl)-1H-imidazole-2-thiol is C9H7ClN2S.
What is the molecular weight of 1-(4-chlorophenyl)-1H-imidazole-2-thiol?
The molecular weight of 1-(4-chlorophenyl)-1H-imidazole-2-thiol is 210.00 g/mol.
Where can I buy 1-(4-chlorophenyl)-1H-imidazole-2-thiol?
You can request a quote for 1-(4-chlorophenyl)-1H-imidazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorophenyl)-1H-imidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-1H-imidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.