![3-(4-Methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine structure](/static/products/5621/5621-01-2.webp)
3-(4-Methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
TL;DR: 3-(4-Methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine (CAS 5621-01-2) is a chemical compound with molecular formula C16H15N5O2S and molecular weight 341.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
Also Known As: 6-chloro-N,2-dimethyl-4-pyrimidinamine, 3-(4-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine, 3-(4-Methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-4-amine, 5-(4-methylphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triazole-4-ylamine
| Molecular Formula | C16H15N5O2S |
|---|---|
| Molecular Weight | 341.09 g/mol |
| LogP | 3.16782 |
| Topological Polar Surface Area | 99.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.09464 |
| Heavy Atoms | 24 |
| Complexity | 859.1792 |
Chemical Identifiers
| CAS Number | 5621-01-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-(4-Methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine (CAS 5621-01-2), with molecular formula C16H15N5O2S and molecular weight 341.09 g/mol. IUPAC: 3-(4-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-(4-Methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
Property Insights of 3-(4-Methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
The XLogP value of 3.16782 indicates that 3-(4-Methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-(4-Methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine has 1 hydrogen bond donor(s) and 6 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-(4-Methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
The CAS number of 3-(4-Methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine is 5621-01-2.
What is the molecular formula of 3-(4-Methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
The molecular formula of 3-(4-Methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine is C16H15N5O2S.
What is the molecular weight of 3-(4-Methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
The molecular weight of 3-(4-Methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine is 341.09 g/mol.
Where can I buy 3-(4-Methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
You can request a quote for 3-(4-Methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-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-(4-Methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.