![3-[(3-Chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine structure](/static/products/449/449746-03-6.png)
3-[(3-Chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine
TL;DR: 3-[(3-Chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine (CAS 449746-03-6) is a chemical compound with molecular formula C11H13ClN4S and molecular weight 268.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine
Also Known As: 3-(3-Chloro-benzylsulfanyl)-5-ethyl-[1,2,4]triazol-4-ylamine, 3-[(3-chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine
| Molecular Formula | C11H13ClN4S |
|---|---|
| Molecular Weight | 268.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.05493 |
| Heavy Atoms | 17 |
| Complexity | 511.92258 |
Chemical Identifiers
| CAS Number | 449746-03-6 |
|---|---|
| SMILES | CCC1=NN=C(N1N)SCC2=CC(=CC=C2)Cl |
Product Overview
3-[(3-Chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine (CAS 449746-03-6), with molecular formula C11H13ClN4S and molecular weight 268.05 g/mol. IUPAC: 3-[(3-chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-[(3-Chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine
Property Insights of 3-[(3-Chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3-Chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine. With a topological polar surface area (TPSA) of 56.73 Ų, 3-[(3-Chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3-Chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine has 1 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 3-[(3-Chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine?
The CAS number of 3-[(3-Chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine is 449746-03-6.
What is the molecular formula of 3-[(3-Chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine?
The molecular formula of 3-[(3-Chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine is C11H13ClN4S.
What is the molecular weight of 3-[(3-Chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine?
The molecular weight of 3-[(3-Chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine is 268.05 g/mol.
Where can I buy 3-[(3-Chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine?
You can request a quote for 3-[(3-Chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-Chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.