5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 713098-07-8) is a chemical compound with molecular formula C19H21N3OS and molecular weight 339.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: ChemDiv3_005326, 5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol, IDI1_023236, 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione, BRD-K14806933-001-01-9
| Molecular Formula | C19H21N3OS |
|---|---|
| Molecular Weight | 339.14 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.14053 |
| Heavy Atoms | 24 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 713098-07-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=C(C=C3)OC |
| InChIKey | VJTWNARMQHTMAT-UHFFFAOYSA-N |
Product Overview
5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 713098-07-8), with molecular formula C19H21N3OS and molecular weight 339.14 g/mol. IUPAC: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.8 indicates that 5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-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 5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is 713098-07-8.
What is the molecular formula of 5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is C19H21N3OS.
What is the molecular weight of 5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol is 339.14 g/mol.
Where can I buy 5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-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-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.