![3-[(4-Nitrophenyl)methylthio]-4-prop-2-enyl-5-(2-thienyl)-1,2,4-triazole structure](/static/products/4887/488746-46-9.webp)
3-[(4-Nitrophenyl)methylthio]-4-prop-2-enyl-5-(2-thienyl)-1,2,4-triazole
TL;DR: 3-[(4-Nitrophenyl)methylthio]-4-prop-2-enyl-5-(2-thienyl)-1,2,4-triazole (CAS 488746-46-9) is a chemical compound with molecular formula C16H14N4O2S2 and molecular weight 358.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazole
Also Known As: 4-allyl-3-((4-nitrobenzyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazole, 3-[(4-nitrobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazole, 3-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazole, 3-[(4-nitrophenyl)methylthio]-4-prop-2-enyl-5-(2-thienyl)-1,2,4-triazole, Cambridge id 7115515
| Molecular Formula | C16H14N4O2S2 |
|---|---|
| Molecular Weight | 358.06 g/mol |
| LogP | 4.3931 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.05582 |
| Heavy Atoms | 24 |
| Complexity | 841.6019 |
Chemical Identifiers
| CAS Number | 488746-46-9 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3 |
Product Overview
3-[(4-Nitrophenyl)methylthio]-4-prop-2-enyl-5-(2-thienyl)-1,2,4-triazole (CAS 488746-46-9), with molecular formula C16H14N4O2S2 and molecular weight 358.06 g/mol. IUPAC: 3-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazole.
Chemical Property Profile of 3-[(4-Nitrophenyl)methylthio]-4-prop-2-enyl-5-(2-thienyl)-1,2,4-triazole
Property Insights of 3-[(4-Nitrophenyl)methylthio]-4-prop-2-enyl-5-(2-thienyl)-1,2,4-triazole
The XLogP value of 4.3931 indicates that 3-[(4-Nitrophenyl)methylthio]-4-prop-2-enyl-5-(2-thienyl)-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Nitrophenyl)methylthio]-4-prop-2-enyl-5-(2-thienyl)-1,2,4-triazole. Following Lipinski's Rule of Five, 3-[(4-Nitrophenyl)methylthio]-4-prop-2-enyl-5-(2-thienyl)-1,2,4-triazole has 0 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-Nitrophenyl)methylthio]-4-prop-2-enyl-5-(2-thienyl)-1,2,4-triazole?
The CAS number of 3-[(4-Nitrophenyl)methylthio]-4-prop-2-enyl-5-(2-thienyl)-1,2,4-triazole is 488746-46-9.
What is the molecular formula of 3-[(4-Nitrophenyl)methylthio]-4-prop-2-enyl-5-(2-thienyl)-1,2,4-triazole?
The molecular formula of 3-[(4-Nitrophenyl)methylthio]-4-prop-2-enyl-5-(2-thienyl)-1,2,4-triazole is C16H14N4O2S2.
What is the molecular weight of 3-[(4-Nitrophenyl)methylthio]-4-prop-2-enyl-5-(2-thienyl)-1,2,4-triazole?
The molecular weight of 3-[(4-Nitrophenyl)methylthio]-4-prop-2-enyl-5-(2-thienyl)-1,2,4-triazole is 358.06 g/mol.
Where can I buy 3-[(4-Nitrophenyl)methylthio]-4-prop-2-enyl-5-(2-thienyl)-1,2,4-triazole?
You can request a quote for 3-[(4-Nitrophenyl)methylthio]-4-prop-2-enyl-5-(2-thienyl)-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 3-[(4-Nitrophenyl)methylthio]-4-prop-2-enyl-5-(2-thienyl)-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Nitrophenyl)methylthio]-4-prop-2-enyl-5-(2-thienyl)-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.