![3-[(4-Chlorobenzyl)Thio]-1H-1,2,4-Triazole structure](/static/products/1347/134796-34-2.webp)
3-[(4-Chlorobenzyl)Thio]-1H-1,2,4-Triazole
TL;DR: 3-[(4-Chlorobenzyl)Thio]-1H-1,2,4-Triazole (CAS 134796-34-2) is a chemical compound with molecular formula C9H8ClN3S and molecular weight 225.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazole
Also Known As: 3-[(4-Chlorobenzyl)Thio]-1H-1,2,4-Triazole, ChemDiv2_000973, 3-((4-Chlorobenzyl)thio)-1H-1,2,4-triazole, 3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazole, 5-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazole
| Molecular Formula | C9H8ClN3S |
|---|---|
| Molecular Weight | 225.01 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.01274 |
| Heavy Atoms | 14 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 134796-34-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NC=NN2)Cl |
| InChIKey | IPYLPWUQKVUWGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[(4-Chlorobenzyl)Thio]-1H-1,2,4-Triazole (CAS 134796-34-2), with molecular formula C9H8ClN3S and molecular weight 225.01 g/mol. IUPAC: 5-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazole.
Chemical Property Profile of 3-[(4-Chlorobenzyl)Thio]-1H-1,2,4-Triazole
Property Insights of 3-[(4-Chlorobenzyl)Thio]-1H-1,2,4-Triazole
The XLogP value of 3.0 indicates that 3-[(4-Chlorobenzyl)Thio]-1H-1,2,4-Triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Chlorobenzyl)Thio]-1H-1,2,4-Triazole. Following Lipinski's Rule of Five, 3-[(4-Chlorobenzyl)Thio]-1H-1,2,4-Triazole 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 3-[(4-Chlorobenzyl)Thio]-1H-1,2,4-Triazole?
The CAS number of 3-[(4-Chlorobenzyl)Thio]-1H-1,2,4-Triazole is 134796-34-2.
What is the molecular formula of 3-[(4-Chlorobenzyl)Thio]-1H-1,2,4-Triazole?
The molecular formula of 3-[(4-Chlorobenzyl)Thio]-1H-1,2,4-Triazole is C9H8ClN3S.
What is the molecular weight of 3-[(4-Chlorobenzyl)Thio]-1H-1,2,4-Triazole?
The molecular weight of 3-[(4-Chlorobenzyl)Thio]-1H-1,2,4-Triazole is 225.01 g/mol.
Where can I buy 3-[(4-Chlorobenzyl)Thio]-1H-1,2,4-Triazole?
You can request a quote for 3-[(4-Chlorobenzyl)Thio]-1H-1,2,4-Triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Chlorobenzyl)Thio]-1H-1,2,4-Triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Chlorobenzyl)Thio]-1H-1,2,4-Triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.