4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol (CAS 36017-19-3) 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.
4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol, 4-(o-Tolyl)-4H-1,2,4-triazole-3-thiol, N-1-CBZ-2-Methylpiperazine, 4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione, 3-Mercapto-4-phenyl-1,2,4-triazol
| Molecular Formula | C9H9N3S |
|---|---|
| Molecular Weight | 191.05 g/mol |
| LogP | 2.23831 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.05171 |
| Heavy Atoms | 13 |
| Complexity | 469.4621 |
Chemical Identifiers
| CAS Number | 36017-19-3 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C=NNC2=S |
Product Overview
4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol (CAS 36017-19-3), with molecular formula C9H9N3S and molecular weight 191.05 g/mol. IUPAC: 4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.23831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 33.61 Ų, 4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-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 4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol is 36017-19-3.
What is the molecular formula of 4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol is C9H9N3S.
What is the molecular weight of 4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol is 191.05 g/mol.
Where can I buy 4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(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 4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.