5-(3-Chloro-4-Methylphenyl)-4-Phenyl-4H-1,2,4-Triazole-3-Thiol
TL;DR: 5-(3-Chloro-4-Methylphenyl)-4-Phenyl-4H-1,2,4-Triazole-3-Thiol (CAS 632292-94-5) 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.
3-(3-chloro-4-methylphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(3-chloro-4-methylphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol, 3-(3-chloro-4-methylphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione, AO-080/43342609, 4H-1,2,4-triazole-3-thiol, 5-(3-chloro-4-methylphenyl)-4-phenyl-, A3135/0132564
| Molecular Formula | C15H12ClN3S |
|---|---|
| Molecular Weight | 301.04 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.04404 |
| Heavy Atoms | 20 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 632292-94-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NNC(=S)N2C3=CC=CC=C3)Cl |
| InChIKey | VJKGFMLZJCDCQC-UHFFFAOYSA-N |
Product Overview
5-(3-Chloro-4-Methylphenyl)-4-Phenyl-4H-1,2,4-Triazole-3-Thiol (CAS 632292-94-5), with molecular formula C15H12ClN3S and molecular weight 301.04 g/mol. IUPAC: 3-(3-chloro-4-methylphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(3-Chloro-4-Methylphenyl)-4-Phenyl-4H-1,2,4-Triazole-3-Thiol
Property Insights of 5-(3-Chloro-4-Methylphenyl)-4-Phenyl-4H-1,2,4-Triazole-3-Thiol
The XLogP value of 4.2 indicates that 5-(3-Chloro-4-Methylphenyl)-4-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 59.7 Ų, 5-(3-Chloro-4-Methylphenyl)-4-Phenyl-4H-1,2,4-Triazole-3-Thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Chloro-4-Methylphenyl)-4-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 5-(3-Chloro-4-Methylphenyl)-4-Phenyl-4H-1,2,4-Triazole-3-Thiol?
The CAS number of 5-(3-Chloro-4-Methylphenyl)-4-Phenyl-4H-1,2,4-Triazole-3-Thiol is 632292-94-5.
What is the molecular formula of 5-(3-Chloro-4-Methylphenyl)-4-Phenyl-4H-1,2,4-Triazole-3-Thiol?
The molecular formula of 5-(3-Chloro-4-Methylphenyl)-4-Phenyl-4H-1,2,4-Triazole-3-Thiol is C15H12ClN3S.
What is the molecular weight of 5-(3-Chloro-4-Methylphenyl)-4-Phenyl-4H-1,2,4-Triazole-3-Thiol?
The molecular weight of 5-(3-Chloro-4-Methylphenyl)-4-Phenyl-4H-1,2,4-Triazole-3-Thiol is 301.04 g/mol.
Where can I buy 5-(3-Chloro-4-Methylphenyl)-4-Phenyl-4H-1,2,4-Triazole-3-Thiol?
You can request a quote for 5-(3-Chloro-4-Methylphenyl)-4-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 5-(3-Chloro-4-Methylphenyl)-4-Phenyl-4H-1,2,4-Triazole-3-Thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Chloro-4-Methylphenyl)-4-Phenyl-4H-1,2,4-Triazole-3-Thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.