4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)aniline
TL;DR: 4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)aniline (CAS 57295-64-4) is a chemical compound with molecular formula C10H12N4S and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)aniline
Also Known As: 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)aniline, 4-(4-methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-yl)-aniline, AN-988/37365003, 4-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]phenylamine
| Molecular Formula | C10H12N4S |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 1.7862 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.07826 |
| Heavy Atoms | 15 |
| Complexity | 460.77466 |
Chemical Identifiers
| CAS Number | 57295-64-4 |
|---|---|
| SMILES | CN1C(=NN=C1SC)C2=CC=C(C=C2)N |
Product Overview
4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)aniline (CAS 57295-64-4), with molecular formula C10H12N4S and molecular weight 220.08 g/mol. IUPAC: 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)aniline.
Chemical Property Profile of 4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)aniline
Property Insights of 4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)aniline
The XLogP value of 1.7862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)aniline. With a topological polar surface area (TPSA) of 56.73 Ų, 4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)aniline 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 4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)aniline?
The CAS number of 4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)aniline is 57295-64-4.
What is the molecular formula of 4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)aniline?
The molecular formula of 4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)aniline is C10H12N4S.
What is the molecular weight of 4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)aniline?
The molecular weight of 4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)aniline is 220.08 g/mol.
Where can I buy 4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)aniline?
You can request a quote for 4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.