2-Methyl-4-phenyl-1,2,4-triazole-3-thione
TL;DR: 2-Methyl-4-phenyl-1,2,4-triazole-3-thione (CAS 2360-40-9) 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.
2-methyl-4-phenyl-1,2,4-triazole-3-thione
Also Known As: 2-methyl-4-phenyl-1,2,4-triazole-3-thione, 1-methyl-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione, 2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 2-methyl-4-phenyl-1,2,4-triazolin-3-thione, 1-methyl-4-phenyl-1H-1,2,4-triazole-5(4H)-thione
| Molecular Formula | C9H9N3S |
|---|---|
| Molecular Weight | 191.05 g/mol |
| LogP | 1.94029 |
| Topological Polar Surface Area | 22.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.05171 |
| Heavy Atoms | 13 |
| Complexity | 455.2121 |
Chemical Identifiers
| CAS Number | 2360-40-9 |
|---|---|
| SMILES | CN1C(=S)N(C=N1)C2=CC=CC=C2 |
Product Overview
2-Methyl-4-phenyl-1,2,4-triazole-3-thione (CAS 2360-40-9), with molecular formula C9H9N3S and molecular weight 191.05 g/mol. IUPAC: 2-methyl-4-phenyl-1,2,4-triazole-3-thione.
Chemical Property Profile of 2-Methyl-4-phenyl-1,2,4-triazole-3-thione
Property Insights of 2-Methyl-4-phenyl-1,2,4-triazole-3-thione
The XLogP value of 1.94029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4-phenyl-1,2,4-triazole-3-thione. With a topological polar surface area (TPSA) of 22.75 Ų, 2-Methyl-4-phenyl-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4-phenyl-1,2,4-triazole-3-thione has 0 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 2-Methyl-4-phenyl-1,2,4-triazole-3-thione?
The CAS number of 2-Methyl-4-phenyl-1,2,4-triazole-3-thione is 2360-40-9.
What is the molecular formula of 2-Methyl-4-phenyl-1,2,4-triazole-3-thione?
The molecular formula of 2-Methyl-4-phenyl-1,2,4-triazole-3-thione is C9H9N3S.
What is the molecular weight of 2-Methyl-4-phenyl-1,2,4-triazole-3-thione?
The molecular weight of 2-Methyl-4-phenyl-1,2,4-triazole-3-thione is 191.05 g/mol.
Where can I buy 2-Methyl-4-phenyl-1,2,4-triazole-3-thione?
You can request a quote for 2-Methyl-4-phenyl-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-phenyl-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-phenyl-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.