5-(4-tert-butylphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-tert-butylphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol (CAS 328556-66-7) is a chemical compound with molecular formula C19H21N3S and molecular weight 323.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-(4-tert-butylphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol, 5-(4-tert-Butyl-phenyl)-4-o-tolyl-4H-[1,2,4]triazole-3-thiol, BAS 00914246, 3-(4-tert-butylphenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione, 5-(4-(Tert-butyl)phenyl)-4-(o-tolyl)-4h-1,2,4-triazole-3-thiol
| Molecular Formula | C19H21N3S |
|---|---|
| Molecular Weight | 323.15 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.14563 |
| Heavy Atoms | 23 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 328556-66-7 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NNC2=S)C3=CC=C(C=C3)C(C)(C)C |
| InChIKey | JBXKHZKTRVOGTD-UHFFFAOYSA-N |
Product Overview
5-(4-tert-butylphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol (CAS 328556-66-7), with molecular formula C19H21N3S and molecular weight 323.15 g/mol. IUPAC: 3-(4-tert-butylphenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-tert-butylphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-tert-butylphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.2 indicates that 5-(4-tert-butylphenyl)-4-(2-methylphenyl)-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 59.7 Ų, 5-(4-tert-butylphenyl)-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, 5-(4-tert-butylphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(4-tert-butylphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-tert-butylphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol is 328556-66-7.
What is the molecular formula of 5-(4-tert-butylphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-tert-butylphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol is C19H21N3S.
What is the molecular weight of 5-(4-tert-butylphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-tert-butylphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol is 323.15 g/mol.
Where can I buy 5-(4-tert-butylphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-tert-butylphenyl)-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 5-(4-tert-butylphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-tert-butylphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.