1-(3-chloro-2-methylphenyl)-5-phenyl-1H-imidazole-2-thiol
TL;DR: 1-(3-chloro-2-methylphenyl)-5-phenyl-1H-imidazole-2-thiol (CAS 852217-72-2) is a chemical compound with molecular formula C16H13ClN2S and molecular weight 300.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-2-methylphenyl)-4-phenyl-1H-imidazole-2-thione
Also Known As: 1-(3-chloro-2-methylphenyl)-5-phenyl-1H-imidazole-2-thiol, 3-(3-chloro-2-methylphenyl)-4-phenyl-1H-imidazole-2-thione, 1-(3-CHLORO-2-METHYLPHENYL)-5-PHENYLIMIDAZOLE-2-THIOL, 3-(3-chloro-2-methyl-phenyl)-4-phenyl-1H-imidazole-2-thione, 1-(3-CHLORO-2-METHYLPHENYL)-5-PHENYL-3H-IMIDAZOLE-2-THIONE
| Molecular Formula | C16H13ClN2S |
|---|---|
| Molecular Weight | 300.05 g/mol |
| LogP | 5.16371 |
| Topological Polar Surface Area | 20.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.0488 |
| Heavy Atoms | 20 |
| Complexity | 802.84424 |
Chemical Identifiers
| CAS Number | 852217-72-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N2C(=CNC2=S)C3=CC=CC=C3 |
Product Overview
1-(3-chloro-2-methylphenyl)-5-phenyl-1H-imidazole-2-thiol (CAS 852217-72-2), with molecular formula C16H13ClN2S and molecular weight 300.05 g/mol. IUPAC: 3-(3-chloro-2-methylphenyl)-4-phenyl-1H-imidazole-2-thione.
Chemical Property Profile of 1-(3-chloro-2-methylphenyl)-5-phenyl-1H-imidazole-2-thiol
Property Insights of 1-(3-chloro-2-methylphenyl)-5-phenyl-1H-imidazole-2-thiol
The XLogP value of 5.16371 indicates that 1-(3-chloro-2-methylphenyl)-5-phenyl-1H-imidazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.72 Ų, 1-(3-chloro-2-methylphenyl)-5-phenyl-1H-imidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-chloro-2-methylphenyl)-5-phenyl-1H-imidazole-2-thiol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3-chloro-2-methylphenyl)-5-phenyl-1H-imidazole-2-thiol?
The CAS number of 1-(3-chloro-2-methylphenyl)-5-phenyl-1H-imidazole-2-thiol is 852217-72-2.
What is the molecular formula of 1-(3-chloro-2-methylphenyl)-5-phenyl-1H-imidazole-2-thiol?
The molecular formula of 1-(3-chloro-2-methylphenyl)-5-phenyl-1H-imidazole-2-thiol is C16H13ClN2S.
What is the molecular weight of 1-(3-chloro-2-methylphenyl)-5-phenyl-1H-imidazole-2-thiol?
The molecular weight of 1-(3-chloro-2-methylphenyl)-5-phenyl-1H-imidazole-2-thiol is 300.05 g/mol.
Where can I buy 1-(3-chloro-2-methylphenyl)-5-phenyl-1H-imidazole-2-thiol?
You can request a quote for 1-(3-chloro-2-methylphenyl)-5-phenyl-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-(3-chloro-2-methylphenyl)-5-phenyl-1H-imidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-chloro-2-methylphenyl)-5-phenyl-1H-imidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.