![N-{5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}acetamide structure](/static/products/340/340203-92-1.png)
N-{5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}acetamide
TL;DR: N-{5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}acetamide (CAS 340203-92-1) is a chemical compound with molecular formula C11H11ClN4OS and molecular weight 282.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[(2-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]acetamide
Also Known As: BAS 04841759, AB00120977-01, N-(3-((2-chlorobenzyl)thio)-1H-1,2,4-triazol-5-yl)acetamide, N-{5-[(2-chlorobenzyl)sulfanyl]-1H-1,2,4-triazol-3-yl}acetamide, N-{5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}acetamide
| Molecular Formula | C11H11ClN4OS |
|---|---|
| Molecular Weight | 282.03 g/mol |
| LogP | 2.7088 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.0342 |
| Heavy Atoms | 18 |
| Complexity | 557.48114 |
Chemical Identifiers
| CAS Number | 340203-92-1 |
|---|---|
| SMILES | CC(=O)NC1=NC(=NN1)SCC2=CC=CC=C2Cl |
Product Overview
N-{5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}acetamide (CAS 340203-92-1), with molecular formula C11H11ClN4OS and molecular weight 282.03 g/mol. IUPAC: N-[3-[(2-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]acetamide.
Chemical Property Profile of N-{5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}acetamide
Property Insights of N-{5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}acetamide
The XLogP value of 2.7088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}acetamide. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}acetamide. Following Lipinski's Rule of Five, N-{5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}acetamide has 2 hydrogen bond donor(s) and 4 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 N-{5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}acetamide?
The CAS number of N-{5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}acetamide is 340203-92-1.
What is the molecular formula of N-{5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}acetamide?
The molecular formula of N-{5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}acetamide is C11H11ClN4OS.
What is the molecular weight of N-{5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}acetamide?
The molecular weight of N-{5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}acetamide is 282.03 g/mol.
Where can I buy N-{5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}acetamide?
You can request a quote for N-{5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-{5-[(2-chlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.