![5-(2-Chloro-benzylsulfanyl)-1H-[1,2,4]triazole structure](/static/products/921/92179-44-7.png)
5-(2-Chloro-benzylsulfanyl)-1H-[1,2,4]triazole
TL;DR: 5-(2-Chloro-benzylsulfanyl)-1H-[1,2,4]triazole (CAS 92179-44-7) 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-[(2-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazole
Also Known As: BAS 01292739, 5-(2-Chloro-benzylsulfanyl)-1H-[1,2,4]triazole, 5-((2-chlorobenzyl)thio)-1H-1,2,4-triazole, 3-[(2-chlorobenzyl)sulfanyl]-1H-1,2,4-triazole, 3-[(2-chlorobenzyl)sulfanyl]-4H-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 | 181.0 |
Chemical Identifiers
| CAS Number | 92179-44-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NC=NN2)Cl |
| InChIKey | VFVGHCLXBZSMAE-UHFFFAOYSA-N |
Product Overview
5-(2-Chloro-benzylsulfanyl)-1H-[1,2,4]triazole (CAS 92179-44-7), with molecular formula C9H8ClN3S and molecular weight 225.01 g/mol. IUPAC: 5-[(2-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazole.
Chemical Property Profile of 5-(2-Chloro-benzylsulfanyl)-1H-[1,2,4]triazole
Property Insights of 5-(2-Chloro-benzylsulfanyl)-1H-[1,2,4]triazole
The XLogP value of 3.0 indicates that 5-(2-Chloro-benzylsulfanyl)-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 5-(2-Chloro-benzylsulfanyl)-1H-[1,2,4]triazole. Following Lipinski's Rule of Five, 5-(2-Chloro-benzylsulfanyl)-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 5-(2-Chloro-benzylsulfanyl)-1H-[1,2,4]triazole?
The CAS number of 5-(2-Chloro-benzylsulfanyl)-1H-[1,2,4]triazole is 92179-44-7.
What is the molecular formula of 5-(2-Chloro-benzylsulfanyl)-1H-[1,2,4]triazole?
The molecular formula of 5-(2-Chloro-benzylsulfanyl)-1H-[1,2,4]triazole is C9H8ClN3S.
What is the molecular weight of 5-(2-Chloro-benzylsulfanyl)-1H-[1,2,4]triazole?
The molecular weight of 5-(2-Chloro-benzylsulfanyl)-1H-[1,2,4]triazole is 225.01 g/mol.
Where can I buy 5-(2-Chloro-benzylsulfanyl)-1H-[1,2,4]triazole?
You can request a quote for 5-(2-Chloro-benzylsulfanyl)-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 5-(2-Chloro-benzylsulfanyl)-1H-[1,2,4]triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Chloro-benzylsulfanyl)-1H-[1,2,4]triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.