1H-1,2,4-Triazole, 3-(methylthio)-5-(4-nitrophenyl)-
TL;DR: 1H-1,2,4-Triazole, 3-(methylthio)-5-(4-nitrophenyl)- (CAS 57295-48-4) is a chemical compound with molecular formula C9H8N4O2S and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-5-(4-nitrophenyl)-1H-1,2,4-triazole
Also Known As: 3-methylsulfanyl-5-(4-nitrophenyl)-1H-1,2,4-triazole, Benzenemethanol,2-bromo-5-methoxy-4-methyl, 1H-1,2,4-Triazole, 3-(methylthio)-5-(4-nitrophenyl)-, 3-(Methylthio)-5-(4-nitrophenyl)-1H-1,2,4-triazole, 3-(METHYLSULFANYL)-5-(4-NITROPHENYL)-1H-1,2,4-TRIAZOLE
| Molecular Formula | C9H8N4O2S |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 2.1018 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.0368 |
| Heavy Atoms | 16 |
| Complexity | 508.48245 |
Chemical Identifiers
| CAS Number | 57295-48-4 |
|---|---|
| SMILES | CSC1=NNC(=N1)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1H-1,2,4-Triazole, 3-(methylthio)-5-(4-nitrophenyl)- (CAS 57295-48-4), with molecular formula C9H8N4O2S and molecular weight 236.04 g/mol. IUPAC: 3-methylsulfanyl-5-(4-nitrophenyl)-1H-1,2,4-triazole.
Chemical Property Profile of 1H-1,2,4-Triazole, 3-(methylthio)-5-(4-nitrophenyl)-
Property Insights of 1H-1,2,4-Triazole, 3-(methylthio)-5-(4-nitrophenyl)-
The XLogP value of 2.1018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole, 3-(methylthio)-5-(4-nitrophenyl)-. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole, 3-(methylthio)-5-(4-nitrophenyl)-. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 3-(methylthio)-5-(4-nitrophenyl)- has 1 hydrogen bond donor(s) and 5 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 1H-1,2,4-Triazole, 3-(methylthio)-5-(4-nitrophenyl)-?
The CAS number of 1H-1,2,4-Triazole, 3-(methylthio)-5-(4-nitrophenyl)- is 57295-48-4.
What is the molecular formula of 1H-1,2,4-Triazole, 3-(methylthio)-5-(4-nitrophenyl)-?
The molecular formula of 1H-1,2,4-Triazole, 3-(methylthio)-5-(4-nitrophenyl)- is C9H8N4O2S.
What is the molecular weight of 1H-1,2,4-Triazole, 3-(methylthio)-5-(4-nitrophenyl)-?
The molecular weight of 1H-1,2,4-Triazole, 3-(methylthio)-5-(4-nitrophenyl)- is 236.04 g/mol.
Where can I buy 1H-1,2,4-Triazole, 3-(methylthio)-5-(4-nitrophenyl)-?
You can request a quote for 1H-1,2,4-Triazole, 3-(methylthio)-5-(4-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole, 3-(methylthio)-5-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole, 3-(methylthio)-5-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.