![4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline structure](/static/products/360/360559-32-6.png)
4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline
TL;DR: 4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline (CAS 360559-32-6) is a chemical compound with molecular formula C16H16N4S and molecular weight 296.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)aniline
Also Known As: AN-988/37365013, 4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)aniline, 4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline, 4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenylamine, Benzenamine, 4-[4-methyl-5-[(phenylmethyl)thio]-4H-1,2,4-triazol-3-yl]-
| Molecular Formula | C16H16N4S |
|---|---|
| Molecular Weight | 296.11 g/mol |
| LogP | 3.3566 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.10956 |
| Heavy Atoms | 21 |
| Complexity | 719.7927 |
Chemical Identifiers
| CAS Number | 360559-32-6 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=CC=C2)C3=CC=C(C=C3)N |
Product Overview
4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline (CAS 360559-32-6), with molecular formula C16H16N4S and molecular weight 296.11 g/mol. IUPAC: 4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)aniline.
Chemical Property Profile of 4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline
Property Insights of 4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline
The XLogP value of 3.3566 indicates that 4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.73 Ų, 4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[5-(benzylsulfanyl)-4-methyl-4H-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-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline?
The CAS number of 4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline is 360559-32-6.
What is the molecular formula of 4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline?
The molecular formula of 4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline is C16H16N4S.
What is the molecular weight of 4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline?
The molecular weight of 4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline is 296.11 g/mol.
Where can I buy 4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline?
You can request a quote for 4-[5-(benzylsulfanyl)-4-methyl-4H-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-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.