4-(3,4-dimethylphenyl)-1-phenyl-1H-imidazole-2-thiol
TL;DR: 4-(3,4-dimethylphenyl)-1-phenyl-1H-imidazole-2-thiol (CAS 730951-45-8) is a chemical compound with molecular formula C17H16N2S and molecular weight 280.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dimethylphenyl)-3-phenyl-1H-imidazole-2-thione
Also Known As: 4-(3,4-dimethylphenyl)-1-phenyl-1H-imidazole-2-thiol, 5-(3,4-dimethylphenyl)-3-phenyl-1H-imidazole-2-thione, 4-(3,4-Dimethyl-phenyl)-1-phenyl-1H-imidazole-2-thiol, 4-(3,4-dimethylphenyl)-1-phenyl-3H-imidazole-2-thione, 4-(3,4-dimethylphenyl)-1-phenyl-4-imidazoline-2-thione
| Molecular Formula | C17H16N2S |
|---|---|
| Molecular Weight | 280.10 g/mol |
| LogP | 4.81873 |
| Topological Polar Surface Area | 20.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.10342 |
| Heavy Atoms | 20 |
| Complexity | 797.35736 |
Chemical Identifiers
| CAS Number | 730951-45-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=CN(C(=S)N2)C3=CC=CC=C3)C |
Product Overview
4-(3,4-dimethylphenyl)-1-phenyl-1H-imidazole-2-thiol (CAS 730951-45-8), with molecular formula C17H16N2S and molecular weight 280.10 g/mol. IUPAC: 5-(3,4-dimethylphenyl)-3-phenyl-1H-imidazole-2-thione.
Chemical Property Profile of 4-(3,4-dimethylphenyl)-1-phenyl-1H-imidazole-2-thiol
Property Insights of 4-(3,4-dimethylphenyl)-1-phenyl-1H-imidazole-2-thiol
The XLogP value of 4.81873 indicates that 4-(3,4-dimethylphenyl)-1-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, 4-(3,4-dimethylphenyl)-1-phenyl-1H-imidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,4-dimethylphenyl)-1-phenyl-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 4-(3,4-dimethylphenyl)-1-phenyl-1H-imidazole-2-thiol?
The CAS number of 4-(3,4-dimethylphenyl)-1-phenyl-1H-imidazole-2-thiol is 730951-45-8.
What is the molecular formula of 4-(3,4-dimethylphenyl)-1-phenyl-1H-imidazole-2-thiol?
The molecular formula of 4-(3,4-dimethylphenyl)-1-phenyl-1H-imidazole-2-thiol is C17H16N2S.
What is the molecular weight of 4-(3,4-dimethylphenyl)-1-phenyl-1H-imidazole-2-thiol?
The molecular weight of 4-(3,4-dimethylphenyl)-1-phenyl-1H-imidazole-2-thiol is 280.10 g/mol.
Where can I buy 4-(3,4-dimethylphenyl)-1-phenyl-1H-imidazole-2-thiol?
You can request a quote for 4-(3,4-dimethylphenyl)-1-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 4-(3,4-dimethylphenyl)-1-phenyl-1H-imidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-dimethylphenyl)-1-phenyl-1H-imidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.