5-(4-nitrophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole
TL;DR: 5-(4-nitrophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole (CAS 383902-25-8) is a chemical compound with molecular formula C11H10N4O2S and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-nitrophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole
Also Known As: AB00112576-01, 5-(4-nitrophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole, 3-(allylthio)-5-(4-nitrophenyl)-1H-1,2,4-triazole, 5-(allylthio)-3-(4-nitrophenyl)-1H-1,2,4-triazole, 3-(4-nitrophenyl)-5-(prop-2-en-1-ylsulfanyl)-1H-1,2,4-triazole
| Molecular Formula | C11H10N4O2S |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 2.658 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.05246 |
| Heavy Atoms | 18 |
| Complexity | 564.6771 |
Chemical Identifiers
| CAS Number | 383902-25-8 |
|---|---|
| SMILES | C=CCSC1=NNC(=N1)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
5-(4-nitrophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole (CAS 383902-25-8), with molecular formula C11H10N4O2S and molecular weight 262.05 g/mol. IUPAC: 5-(4-nitrophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole.
Chemical Property Profile of 5-(4-nitrophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole
Property Insights of 5-(4-nitrophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole
The XLogP value of 2.658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-nitrophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-nitrophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 5-(4-nitrophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole 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 5-(4-nitrophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole?
The CAS number of 5-(4-nitrophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole is 383902-25-8.
What is the molecular formula of 5-(4-nitrophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole?
The molecular formula of 5-(4-nitrophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole is C11H10N4O2S.
What is the molecular weight of 5-(4-nitrophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole?
The molecular weight of 5-(4-nitrophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole is 262.05 g/mol.
Where can I buy 5-(4-nitrophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole?
You can request a quote for 5-(4-nitrophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-nitrophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-nitrophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.