5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol (CAS 332072-93-2) is a chemical compound with molecular formula C16H15N3S and molecular weight 281.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methylphenyl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol, BAS 00914181, BIM-0027934.P001, 5-m-Tolyl-4-p-tolyl-4H-[1,2,4]triazole-3-thiol, 3-(3-methylphenyl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C16H15N3S |
|---|---|
| Molecular Weight | 281.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.09866 |
| Heavy Atoms | 20 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 332072-93-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=CC(=C3)C |
| InChIKey | SXHDEAZKUNROPB-UHFFFAOYSA-N |
Product Overview
5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol (CAS 332072-93-2), with molecular formula C16H15N3S and molecular weight 281.10 g/mol. IUPAC: 3-(3-methylphenyl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.9 indicates that 5-(3-methylphenyl)-4-(4-methylphenyl)-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-methylphenyl)-4-(4-methylphenyl)-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-methylphenyl)-4-(4-methylphenyl)-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-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol is 332072-93-2.
What is the molecular formula of 5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol is C16H15N3S.
What is the molecular weight of 5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol is 281.10 g/mol.
Where can I buy 5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(3-methylphenyl)-4-(4-methylphenyl)-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-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.