2-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine
TL;DR: 2-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine (CAS 842960-01-4) is a chemical compound with molecular formula C6H12N4S and molecular weight 172.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine
Also Known As: ASN 09858294, 2-(4-Methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-yl)-ethylamine, 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine, 2-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]ethan-1-amine
| Molecular Formula | C6H12N4S |
|---|---|
| Molecular Weight | 172.08 g/mol |
| LogP | 0.0382 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.07826 |
| Heavy Atoms | 11 |
| Complexity | 232.48619 |
Chemical Identifiers
| CAS Number | 842960-01-4 |
|---|---|
| SMILES | CN1C(=NN=C1SC)CCN |
Product Overview
2-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine (CAS 842960-01-4), with molecular formula C6H12N4S and molecular weight 172.08 g/mol. IUPAC: 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine.
Chemical Property Profile of 2-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine
Property Insights of 2-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine
The XLogP value of 0.0382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine. With a topological polar surface area (TPSA) of 56.73 Ų, 2-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine 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 2-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine?
The CAS number of 2-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine is 842960-01-4.
What is the molecular formula of 2-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine?
The molecular formula of 2-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine is C6H12N4S.
What is the molecular weight of 2-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine?
The molecular weight of 2-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine is 172.08 g/mol.
Where can I buy 2-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine?
You can request a quote for 2-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.