3-Methoxy-1-methyl-5-methylsulfanyl-1-oxothiopyran-4-carbonitrile
TL;DR: 3-Methoxy-1-methyl-5-methylsulfanyl-1-oxothiopyran-4-carbonitrile (CAS 65322-14-7) is a chemical compound with molecular formula C9H11NO2S2 and molecular weight 229.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-1-methyl-5-methylsulfanyl-1-oxothiopyran-4-carbonitrile
Also Known As: 3-methoxy-1-methyl-5-methylsulfanyl-1-oxothiopyran-4-carbonitrile, 3-Methoxy-1-methyl-5-(methylsulfanyl)-1-oxo-1lambda~6~-thiopyran-4-carbonitrile
| Molecular Formula | C9H11NO2S2 |
|---|---|
| Molecular Weight | 229.02 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.02312 |
| Heavy Atoms | 14 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 65322-14-7 |
|---|---|
| SMILES | COC1=CS(=CC(=C1C#N)SC)(=O)C |
| InChIKey | HFPBHRDZBUCMHI-UHFFFAOYSA-N |
Product Overview
3-Methoxy-1-methyl-5-methylsulfanyl-1-oxothiopyran-4-carbonitrile (CAS 65322-14-7), with molecular formula C9H11NO2S2 and molecular weight 229.02 g/mol. IUPAC: 3-methoxy-1-methyl-5-methylsulfanyl-1-oxothiopyran-4-carbonitrile.
Chemical Property Profile of 3-Methoxy-1-methyl-5-methylsulfanyl-1-oxothiopyran-4-carbonitrile
Property Insights of 3-Methoxy-1-methyl-5-methylsulfanyl-1-oxothiopyran-4-carbonitrile
The XLogP value of -0.1 indicates that 3-Methoxy-1-methyl-5-methylsulfanyl-1-oxothiopyran-4-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxy-1-methyl-5-methylsulfanyl-1-oxothiopyran-4-carbonitrile. Following Lipinski's Rule of Five, 3-Methoxy-1-methyl-5-methylsulfanyl-1-oxothiopyran-4-carbonitrile has 0 hydrogen bond donor(s) and 4 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-Methoxy-1-methyl-5-methylsulfanyl-1-oxothiopyran-4-carbonitrile?
The CAS number of 3-Methoxy-1-methyl-5-methylsulfanyl-1-oxothiopyran-4-carbonitrile is 65322-14-7.
What is the molecular formula of 3-Methoxy-1-methyl-5-methylsulfanyl-1-oxothiopyran-4-carbonitrile?
The molecular formula of 3-Methoxy-1-methyl-5-methylsulfanyl-1-oxothiopyran-4-carbonitrile is C9H11NO2S2.
What is the molecular weight of 3-Methoxy-1-methyl-5-methylsulfanyl-1-oxothiopyran-4-carbonitrile?
The molecular weight of 3-Methoxy-1-methyl-5-methylsulfanyl-1-oxothiopyran-4-carbonitrile is 229.02 g/mol.
Where can I buy 3-Methoxy-1-methyl-5-methylsulfanyl-1-oxothiopyran-4-carbonitrile?
You can request a quote for 3-Methoxy-1-methyl-5-methylsulfanyl-1-oxothiopyran-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-1-methyl-5-methylsulfanyl-1-oxothiopyran-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-1-methyl-5-methylsulfanyl-1-oxothiopyran-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.