5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol (CAS 54294-18-7) is a chemical compound with molecular formula C9H9N3S and molecular weight 191.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methylphenyl)-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: 5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol, 5-o-Tolyl-4H-[1,2,4]triazole-3-thiol, 5-(o-Tolyl)-4H-1,2,4-triazole-3-thiol, 5-(O-tolyl)-1H-1,2,4-triazole-3-thiol, BAS 00602847
| Molecular Formula | C9H9N3S |
|---|---|
| Molecular Weight | 191.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.05171 |
| Heavy Atoms | 13 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 54294-18-7 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NC(=S)NN2 |
| InChIKey | SMHIAXYYNWVQCY-UHFFFAOYSA-N |
Product Overview
5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol (CAS 54294-18-7), with molecular formula C9H9N3S and molecular weight 191.05 g/mol. IUPAC: 5-(2-methylphenyl)-1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of 5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol has 2 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 5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol is 54294-18-7.
What is the molecular formula of 5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol is C9H9N3S.
What is the molecular weight of 5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol is 191.05 g/mol.
Where can I buy 5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(2-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-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.