4-(2-methoxy-5-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(2-methoxy-5-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 379728-85-5) is a chemical compound with molecular formula C14H13N3OS2 and molecular weight 303.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methoxy-5-methylphenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-(2-methoxy-5-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol, 4-(2-Methoxy-5-methyl-phenyl)-5-thiophen-2-yl-4H-[1,2,4]triazole-3-thiol, 4-(2-methoxy-5-methylphenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione, 4-(2-methoxy-5-methyl-phenyl)-3-(2-thienyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C14H13N3OS2 |
|---|---|
| Molecular Weight | 303.05 g/mol |
| LogP | 3.97541 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.05002 |
| Heavy Atoms | 20 |
| Complexity | 787.1095 |
Chemical Identifiers
| CAS Number | 379728-85-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=CC=CS3 |
Product Overview
4-(2-methoxy-5-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 379728-85-5), with molecular formula C14H13N3OS2 and molecular weight 303.05 g/mol. IUPAC: 4-(2-methoxy-5-methylphenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2-methoxy-5-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(2-methoxy-5-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.97541 indicates that 4-(2-methoxy-5-methylphenyl)-5-(thiophen-2-yl)-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 42.84 Ų, 4-(2-methoxy-5-methylphenyl)-5-(thiophen-2-yl)-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-methoxy-5-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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-methoxy-5-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(2-methoxy-5-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol is 379728-85-5.
What is the molecular formula of 4-(2-methoxy-5-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(2-methoxy-5-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol is C14H13N3OS2.
What is the molecular weight of 4-(2-methoxy-5-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(2-methoxy-5-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol is 303.05 g/mol.
Where can I buy 4-(2-methoxy-5-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(2-methoxy-5-methylphenyl)-5-(thiophen-2-yl)-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-methoxy-5-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-methoxy-5-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.