5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1
TL;DR: 5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1 (CAS 65322-16-9) is a chemical compound with molecular formula C9H12N2O2S2 and molecular weight 244.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1λ6-thia-2-azacyclohexa-1,3,5-triene-4-carbonitrile
Also Known As: 5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1, 5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1lambda6-thia-2-azacyclo, 5-Ethoxy-1-methyl-3-(methylsulfanyl)-1-oxo-1lambda~6~,2-thiazine-4-carbonitrile, 5-Ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1lambda6-thia-2-azacyclohexa-2,4,6-triene-4-carbonitrile
| Molecular Formula | C9H12N2O2S2 |
|---|---|
| Molecular Weight | 244.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 96.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.03403 |
| Heavy Atoms | 15 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 65322-16-9 |
|---|---|
| SMILES | CCOC1=CS(=NC(=C1C#N)SC)(=O)C |
| InChIKey | FHEXNQHIRLJGLY-UHFFFAOYSA-N |
Product Overview
5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1 (CAS 65322-16-9), with molecular formula C9H12N2O2S2 and molecular weight 244.03 g/mol. IUPAC: 5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1λ6-thia-2-azacyclohexa-1,3,5-triene-4-carbonitrile.
Chemical Property Profile of 5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1
Property Insights of 5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1. Following Lipinski's Rule of Five, 5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1 has 0 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-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1?
The CAS number of 5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1 is 65322-16-9.
What is the molecular formula of 5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1?
The molecular formula of 5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1 is C9H12N2O2S2.
What is the molecular weight of 5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1?
The molecular weight of 5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1 is 244.03 g/mol.
Where can I buy 5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1?
You can request a quote for 5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1?
Yes, KEHONG BIO provides custom synthesis services for 5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.