4-(3-chloro-2-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(3-chloro-2-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 587013-63-6) is a chemical compound with molecular formula C15H12ClN3S and molecular weight 301.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-2-methylphenyl)-3-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-(3-chloro-2-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol, 4-(3-chloro-2-methylphenyl)-5-phenyl-1,2,4-triazole-3-thiol, 4-(3-chloro-2-methylphenyl)-3-phenyl-1H-1,2,4-triazole-5-thione, 4-(3-chloro-2-methylphenyl)-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C15H12ClN3S |
|---|---|
| Molecular Weight | 301.04 g/mol |
| LogP | 4.55871 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.04404 |
| Heavy Atoms | 20 |
| Complexity | 805.48596 |
Chemical Identifiers
| CAS Number | 587013-63-6 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N2C(=NNC2=S)C3=CC=CC=C3 |
Product Overview
4-(3-chloro-2-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 587013-63-6), with molecular formula C15H12ClN3S and molecular weight 301.04 g/mol. IUPAC: 4-(3-chloro-2-methylphenyl)-3-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(3-chloro-2-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(3-chloro-2-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.55871 indicates that 4-(3-chloro-2-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.61 Ų, 4-(3-chloro-2-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-chloro-2-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 2 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-chloro-2-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(3-chloro-2-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol is 587013-63-6.
What is the molecular formula of 4-(3-chloro-2-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(3-chloro-2-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol is C15H12ClN3S.
What is the molecular weight of 4-(3-chloro-2-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(3-chloro-2-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol is 301.04 g/mol.
Where can I buy 4-(3-chloro-2-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(3-chloro-2-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-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-chloro-2-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-chloro-2-methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.