4-(3,5-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(3,5-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 588677-84-3) is a chemical compound with molecular formula C15H14N4S and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,5-dimethylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-(3,5-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol, 4-(3,5-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazole-3-thiol, 4-(3,5-dimethylphenyl)-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione, 4-(3,5-dimethylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione, 4-(3,5-dimethylphenyl)-5-pyridin-3-yl-2H-1,2,4-triazole-3-thione
| Molecular Formula | C15H14N4S |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 3.60873 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.0939 |
| Heavy Atoms | 20 |
| Complexity | 781.9909 |
Chemical Identifiers
| CAS Number | 588677-84-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=NNC2=S)C3=CN=CC=C3)C |
Product Overview
4-(3,5-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 588677-84-3), with molecular formula C15H14N4S and molecular weight 282.09 g/mol. IUPAC: 4-(3,5-dimethylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(3,5-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(3,5-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.60873 indicates that 4-(3,5-dimethylphenyl)-5-(pyridin-3-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 46.5 Ų, 4-(3,5-dimethylphenyl)-5-(pyridin-3-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-(3,5-dimethylphenyl)-5-(pyridin-3-yl)-4H-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-(3,5-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(3,5-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol is 588677-84-3.
What is the molecular formula of 4-(3,5-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(3,5-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol is C15H14N4S.
What is the molecular weight of 4-(3,5-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(3,5-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol is 282.09 g/mol.
Where can I buy 4-(3,5-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(3,5-dimethylphenyl)-5-(pyridin-3-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-(3,5-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,5-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.