![2-[[5-(4-Nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate structure](/static/products/6714/6714-67-6.webp)
2-[[5-(4-Nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate
TL;DR: 2-[[5-(4-Nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate (CAS 6714-67-6) is a chemical compound with molecular formula C13H11N4O4S- and molecular weight 319.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: 2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate, {[5-(4-Nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
| Molecular Formula | C13H11N4O4S- |
|---|---|
| Molecular Weight | 319.05 g/mol |
| LogP | 0.8813 |
| Topological Polar Surface Area | 113.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 319.0501 |
| Heavy Atoms | 22 |
| Complexity | 711.3302 |
Chemical Identifiers
| CAS Number | 6714-67-6 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-[[5-(4-Nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate (CAS 6714-67-6), with molecular formula C13H11N4O4S- and molecular weight 319.05 g/mol. IUPAC: 2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of 2-[[5-(4-Nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Property Insights of 2-[[5-(4-Nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate
The XLogP value of 0.8813 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[5-(4-Nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate. The TPSA of 113.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-(4-Nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate. Following Lipinski's Rule of Five, 2-[[5-(4-Nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate has 0 hydrogen bond donor(s) and 7 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 2-[[5-(4-Nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate?
The CAS number of 2-[[5-(4-Nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate is 6714-67-6.
What is the molecular formula of 2-[[5-(4-Nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate?
The molecular formula of 2-[[5-(4-Nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate is C13H11N4O4S-.
What is the molecular weight of 2-[[5-(4-Nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate?
The molecular weight of 2-[[5-(4-Nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate is 319.05 g/mol.
Where can I buy 2-[[5-(4-Nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate?
You can request a quote for 2-[[5-(4-Nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[5-(4-Nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-(4-Nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.