4-methylthio-2-oxo-6-phenylpyran-3-carbonitrile
TL;DR: 4-methylthio-2-oxo-6-phenylpyran-3-carbonitrile (CAS 61380-85-6) is a chemical compound with molecular formula C13H9NO2S and molecular weight 243.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanyl-2-oxo-6-phenylpyran-3-carbonitrile
Also Known As: 4-methylthio-2-oxo-6-phenylpyran-3-carbonitrile, 4-methylsulfanyl-2-oxo-6-phenylpyran-3-carbonitrile, 4-(methylsulfanyl)-2-oxo-6-phenyl-2H-pyran-3-carbonitrile, 2H-Pyran-3-carbonitrile, 4-(methylthio)-2-oxo-6-phenyl-, 3-Cyano-4-(methylthio)-6-phenyl-2H-pyran-2-one
| Molecular Formula | C13H9NO2S |
|---|---|
| Molecular Weight | 243.04 g/mol |
| LogP | 2.90038 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.0354 |
| Heavy Atoms | 17 |
| Complexity | 626.1031 |
Chemical Identifiers
| CAS Number | 61380-85-6 |
|---|---|
| SMILES | CSC1=C(C(=O)OC(=C1)C2=CC=CC=C2)C#N |
Product Overview
4-methylthio-2-oxo-6-phenylpyran-3-carbonitrile (CAS 61380-85-6), with molecular formula C13H9NO2S and molecular weight 243.04 g/mol. IUPAC: 4-methylsulfanyl-2-oxo-6-phenylpyran-3-carbonitrile.
Chemical Property Profile of 4-methylthio-2-oxo-6-phenylpyran-3-carbonitrile
Property Insights of 4-methylthio-2-oxo-6-phenylpyran-3-carbonitrile
The XLogP value of 2.90038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methylthio-2-oxo-6-phenylpyran-3-carbonitrile. With a topological polar surface area (TPSA) of 54.0 Ų, 4-methylthio-2-oxo-6-phenylpyran-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methylthio-2-oxo-6-phenylpyran-3-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 4-methylthio-2-oxo-6-phenylpyran-3-carbonitrile?
The CAS number of 4-methylthio-2-oxo-6-phenylpyran-3-carbonitrile is 61380-85-6.
What is the molecular formula of 4-methylthio-2-oxo-6-phenylpyran-3-carbonitrile?
The molecular formula of 4-methylthio-2-oxo-6-phenylpyran-3-carbonitrile is C13H9NO2S.
What is the molecular weight of 4-methylthio-2-oxo-6-phenylpyran-3-carbonitrile?
The molecular weight of 4-methylthio-2-oxo-6-phenylpyran-3-carbonitrile is 243.04 g/mol.
Where can I buy 4-methylthio-2-oxo-6-phenylpyran-3-carbonitrile?
You can request a quote for 4-methylthio-2-oxo-6-phenylpyran-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methylthio-2-oxo-6-phenylpyran-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-methylthio-2-oxo-6-phenylpyran-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.