4-(2-Methylphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol
TL;DR: 4-(2-Methylphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol (CAS 681840-91-5) is a chemical compound with molecular formula C13H11N3S2 and molecular weight 273.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylphenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-(2-methylphenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione, 4-(2-METHYLPHENYL)-5-(2-THIENYL)-1,2,4-TRIAZOLE-3-THIOL, 5-(thiophen-2-yl)-4-(o-tolyl)-4H-1,2,4-triazole-3-thiol, 4-(2-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol, 4-(o-tolyl)-3-(2-thienyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C13H11N3S2 |
|---|---|
| Molecular Weight | 273.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.03943 |
| Heavy Atoms | 18 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 681840-91-5 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NNC2=S)C3=CC=CS3 |
| InChIKey | NQHYLYUUZTUHLI-UHFFFAOYSA-N |
Product Overview
4-(2-Methylphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol (CAS 681840-91-5), with molecular formula C13H11N3S2 and molecular weight 273.04 g/mol. IUPAC: 4-(2-methylphenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2-Methylphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol
Property Insights of 4-(2-Methylphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol
The XLogP value of 3.6 indicates that 4-(2-Methylphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Methylphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-(2-Methylphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 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-(2-Methylphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol?
The CAS number of 4-(2-Methylphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol is 681840-91-5.
What is the molecular formula of 4-(2-Methylphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol?
The molecular formula of 4-(2-Methylphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol is C13H11N3S2.
What is the molecular weight of 4-(2-Methylphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol?
The molecular weight of 4-(2-Methylphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol is 273.04 g/mol.
Where can I buy 4-(2-Methylphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol?
You can request a quote for 4-(2-Methylphenyl)-5-(2-thienyl)-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-(2-Methylphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Methylphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.