![3-[(2-chlorobenzyl)sulfanyl]-5-(2-thienyl)-4H-1,2,4-triazol-4-ylamine structure](/static/products/4778/477872-63-2.webp)
3-[(2-chlorobenzyl)sulfanyl]-5-(2-thienyl)-4H-1,2,4-triazol-4-ylamine
TL;DR: 3-[(2-chlorobenzyl)sulfanyl]-5-(2-thienyl)-4H-1,2,4-triazol-4-ylamine (CAS 477872-63-2) is a chemical compound with molecular formula C13H11ClN4S2 and molecular weight 322.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine
Also Known As: 3-[(2-chlorobenzyl)sulfanyl]-5-(2-thienyl)-4H-1,2,4-triazol-4-ylamine, 3-{[(2-chlorophenyl)methyl]sulfanyl}-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-amine, 1R-1241, 3-[(2-chlorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine, 3-(2-Chlorobenzyl)sulfanyl-5-(2-thienyl)-4H-1,2,4-triazol-4-ylamine
| Molecular Formula | C13H11ClN4S2 |
|---|---|
| Molecular Weight | 322.01 g/mol |
| LogP | 3.6661 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.01135 |
| Heavy Atoms | 20 |
| Complexity | 708.99677 |
Chemical Identifiers
| CAS Number | 477872-63-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NN=C(N2N)C3=CC=CS3)Cl |
Product Overview
3-[(2-chlorobenzyl)sulfanyl]-5-(2-thienyl)-4H-1,2,4-triazol-4-ylamine (CAS 477872-63-2), with molecular formula C13H11ClN4S2 and molecular weight 322.01 g/mol. IUPAC: 3-[(2-chlorophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-[(2-chlorobenzyl)sulfanyl]-5-(2-thienyl)-4H-1,2,4-triazol-4-ylamine
Property Insights of 3-[(2-chlorobenzyl)sulfanyl]-5-(2-thienyl)-4H-1,2,4-triazol-4-ylamine
The XLogP value of 3.6661 indicates that 3-[(2-chlorobenzyl)sulfanyl]-5-(2-thienyl)-4H-1,2,4-triazol-4-ylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.73 Ų, 3-[(2-chlorobenzyl)sulfanyl]-5-(2-thienyl)-4H-1,2,4-triazol-4-ylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2-chlorobenzyl)sulfanyl]-5-(2-thienyl)-4H-1,2,4-triazol-4-ylamine has 1 hydrogen bond donor(s) and 5 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-[(2-chlorobenzyl)sulfanyl]-5-(2-thienyl)-4H-1,2,4-triazol-4-ylamine?
The CAS number of 3-[(2-chlorobenzyl)sulfanyl]-5-(2-thienyl)-4H-1,2,4-triazol-4-ylamine is 477872-63-2.
What is the molecular formula of 3-[(2-chlorobenzyl)sulfanyl]-5-(2-thienyl)-4H-1,2,4-triazol-4-ylamine?
The molecular formula of 3-[(2-chlorobenzyl)sulfanyl]-5-(2-thienyl)-4H-1,2,4-triazol-4-ylamine is C13H11ClN4S2.
What is the molecular weight of 3-[(2-chlorobenzyl)sulfanyl]-5-(2-thienyl)-4H-1,2,4-triazol-4-ylamine?
The molecular weight of 3-[(2-chlorobenzyl)sulfanyl]-5-(2-thienyl)-4H-1,2,4-triazol-4-ylamine is 322.01 g/mol.
Where can I buy 3-[(2-chlorobenzyl)sulfanyl]-5-(2-thienyl)-4H-1,2,4-triazol-4-ylamine?
You can request a quote for 3-[(2-chlorobenzyl)sulfanyl]-5-(2-thienyl)-4H-1,2,4-triazol-4-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2-chlorobenzyl)sulfanyl]-5-(2-thienyl)-4H-1,2,4-triazol-4-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-chlorobenzyl)sulfanyl]-5-(2-thienyl)-4H-1,2,4-triazol-4-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.