4-Benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiolate
TL;DR: 4-Benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiolate (CAS 23282-92-0) is a chemical compound with molecular formula C15H11ClN3S- and molecular weight 300.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-5-(4-chlorophenyl)-1,2,4-triazole-3-thiolate
Also Known As: 4-benzyl-5-(4-chlorophenyl)-1,2,4-triazole-3-thiolate, 5-(4-chlorophenyl)-4-benzyl-1,2,4-triazole-3-thiol, 4-Benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiolate
| Molecular Formula | C15H11ClN3S- |
|---|---|
| Molecular Weight | 300.04 g/mol |
| LogP | 3.5526 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.03622 |
| Heavy Atoms | 20 |
| Complexity | 707.7434 |
Chemical Identifiers
| CAS Number | 23282-92-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NN=C2[S-])C3=CC=C(C=C3)Cl |
Product Overview
4-Benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiolate (CAS 23282-92-0), with molecular formula C15H11ClN3S- and molecular weight 300.04 g/mol. IUPAC: 4-benzyl-5-(4-chlorophenyl)-1,2,4-triazole-3-thiolate.
Chemical Property Profile of 4-Benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiolate
Property Insights of 4-Benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiolate
The XLogP value of 3.5526 indicates that 4-Benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 4-Benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiolate has 0 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-Benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiolate?
The CAS number of 4-Benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiolate is 23282-92-0.
What is the molecular formula of 4-Benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiolate?
The molecular formula of 4-Benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiolate is C15H11ClN3S-.
What is the molecular weight of 4-Benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiolate?
The molecular weight of 4-Benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiolate is 300.04 g/mol.
Where can I buy 4-Benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiolate?
You can request a quote for 4-Benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiolate?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.