4-(Furan-2-yl)-6-methyl-2-sulfanylpyridine-3-carbonitrile
TL;DR: 4-(Furan-2-yl)-6-methyl-2-sulfanylpyridine-3-carbonitrile (CAS 94639-72-2) is a chemical compound with molecular formula C11H8N2OS and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-yl)-6-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: HIOZMIZSQLIBNO-UHFFFAOYSA-, BIM-0013849.P001, 6-methyl-4-(2-furyl)-3-cyano-2(1H)-pyridinethione, 4-(furan-2-yl)-2-mercapto-6-methylnicotinonitrile, 4-(2-furyl)-6-methyl-2-thioxohydropyridine-3-carbonitrile
| Molecular Formula | C11H8N2OS |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 3.18429 |
| Topological Polar Surface Area | 52.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.03574 |
| Heavy Atoms | 15 |
| Complexity | 575.6208 |
Chemical Identifiers
| CAS Number | 94639-72-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=S)N1)C#N)C2=CC=CO2 |
Product Overview
4-(Furan-2-yl)-6-methyl-2-sulfanylpyridine-3-carbonitrile (CAS 94639-72-2), with molecular formula C11H8N2OS and molecular weight 216.04 g/mol. IUPAC: 4-(furan-2-yl)-6-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 4-(Furan-2-yl)-6-methyl-2-sulfanylpyridine-3-carbonitrile
Property Insights of 4-(Furan-2-yl)-6-methyl-2-sulfanylpyridine-3-carbonitrile
The XLogP value of 3.18429 indicates that 4-(Furan-2-yl)-6-methyl-2-sulfanylpyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.72 Ų, 4-(Furan-2-yl)-6-methyl-2-sulfanylpyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Furan-2-yl)-6-methyl-2-sulfanylpyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 3 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-(Furan-2-yl)-6-methyl-2-sulfanylpyridine-3-carbonitrile?
The CAS number of 4-(Furan-2-yl)-6-methyl-2-sulfanylpyridine-3-carbonitrile is 94639-72-2.
What is the molecular formula of 4-(Furan-2-yl)-6-methyl-2-sulfanylpyridine-3-carbonitrile?
The molecular formula of 4-(Furan-2-yl)-6-methyl-2-sulfanylpyridine-3-carbonitrile is C11H8N2OS.
What is the molecular weight of 4-(Furan-2-yl)-6-methyl-2-sulfanylpyridine-3-carbonitrile?
The molecular weight of 4-(Furan-2-yl)-6-methyl-2-sulfanylpyridine-3-carbonitrile is 216.04 g/mol.
Where can I buy 4-(Furan-2-yl)-6-methyl-2-sulfanylpyridine-3-carbonitrile?
You can request a quote for 4-(Furan-2-yl)-6-methyl-2-sulfanylpyridine-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-(Furan-2-yl)-6-methyl-2-sulfanylpyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Furan-2-yl)-6-methyl-2-sulfanylpyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.