![ethyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate structure](/static/products/632/632290-22-3.png)
ethyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate
TL;DR: ethyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate (CAS 632290-22-3) is a chemical compound with molecular formula C13H14N4O2S and molecular weight 290.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate
Also Known As: ethyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate, ethyl 2-[(1E)-2-(5-methyl-3-sulfanyl(1,2,4-triazol-4-yl))-2-azavinyl]benzoate, ethyl 2-[(E)-N-(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)carboximidoyl]benzoate, ethyl 2-[(1E)-[(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl]benzoate, ethyl 2-[(E)-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate
| Molecular Formula | C13H14N4O2S |
|---|---|
| Molecular Weight | 290.08 g/mol |
| LogP | 2.30801 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.08374 |
| Heavy Atoms | 20 |
| Complexity | 702.39185 |
Chemical Identifiers
| CAS Number | 632290-22-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1/C=N/N2C(=NNC2=S)C |
Product Overview
ethyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate (CAS 632290-22-3), with molecular formula C13H14N4O2S and molecular weight 290.08 g/mol. IUPAC: ethyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate.
Chemical Property Profile of ethyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate
Property Insights of ethyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate
The XLogP value of 2.30801 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate. The TPSA of 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate. Following Lipinski's Rule of Five, ethyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate 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 ethyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate?
The CAS number of ethyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate is 632290-22-3.
What is the molecular formula of ethyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate?
The molecular formula of ethyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate is C13H14N4O2S.
What is the molecular weight of ethyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate?
The molecular weight of ethyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate is 290.08 g/mol.
Where can I buy ethyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate?
You can request a quote for ethyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.