![2-[(Cyanomethyl)sulfanyl]-6-(2-thienyl)nicotinonitrile structure](/static/products/3133/313380-32-4.webp)
2-[(Cyanomethyl)sulfanyl]-6-(2-thienyl)nicotinonitrile
TL;DR: 2-[(Cyanomethyl)sulfanyl]-6-(2-thienyl)nicotinonitrile (CAS 313380-32-4) is a chemical compound with molecular formula C12H7N3S2 and molecular weight 257.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(cyanomethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile
Also Known As: 2-[(cyanomethyl)sulfanyl]-6-(2-thienyl)nicotinonitrile, 2-(cyanomethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile, 2-(cyanomethylthio)-6-(2-thienyl)pyridine-3-carbonitrile, 2-((cyanomethyl)thio)-6-(thiophen-2-yl)nicotinonitrile, 2-[(cyanomethyl)sulfanyl]-6-(thiophen-2-yl)pyridine-3-carbonitrile
| Molecular Formula | C12H7N3S2 |
|---|---|
| Molecular Weight | 257.01 g/mol |
| LogP | 3.29746 |
| Topological Polar Surface Area | 60.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.00815 |
| Heavy Atoms | 17 |
| Complexity | 591.19867 |
Chemical Identifiers
| CAS Number | 313380-32-4 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NC(=C(C=C2)C#N)SCC#N |
Product Overview
2-[(Cyanomethyl)sulfanyl]-6-(2-thienyl)nicotinonitrile (CAS 313380-32-4), with molecular formula C12H7N3S2 and molecular weight 257.01 g/mol. IUPAC: 2-(cyanomethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile.
Chemical Property Profile of 2-[(Cyanomethyl)sulfanyl]-6-(2-thienyl)nicotinonitrile
Property Insights of 2-[(Cyanomethyl)sulfanyl]-6-(2-thienyl)nicotinonitrile
The XLogP value of 3.29746 indicates that 2-[(Cyanomethyl)sulfanyl]-6-(2-thienyl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Cyanomethyl)sulfanyl]-6-(2-thienyl)nicotinonitrile. Following Lipinski's Rule of Five, 2-[(Cyanomethyl)sulfanyl]-6-(2-thienyl)nicotinonitrile 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 2-[(Cyanomethyl)sulfanyl]-6-(2-thienyl)nicotinonitrile?
The CAS number of 2-[(Cyanomethyl)sulfanyl]-6-(2-thienyl)nicotinonitrile is 313380-32-4.
What is the molecular formula of 2-[(Cyanomethyl)sulfanyl]-6-(2-thienyl)nicotinonitrile?
The molecular formula of 2-[(Cyanomethyl)sulfanyl]-6-(2-thienyl)nicotinonitrile is C12H7N3S2.
What is the molecular weight of 2-[(Cyanomethyl)sulfanyl]-6-(2-thienyl)nicotinonitrile?
The molecular weight of 2-[(Cyanomethyl)sulfanyl]-6-(2-thienyl)nicotinonitrile is 257.01 g/mol.
Where can I buy 2-[(Cyanomethyl)sulfanyl]-6-(2-thienyl)nicotinonitrile?
You can request a quote for 2-[(Cyanomethyl)sulfanyl]-6-(2-thienyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Cyanomethyl)sulfanyl]-6-(2-thienyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Cyanomethyl)sulfanyl]-6-(2-thienyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.