6-Cyclopropyl-2-(methylsulfanyl)-4-(2-thienyl)nicotinonitrile
TL;DR: 6-Cyclopropyl-2-(methylsulfanyl)-4-(2-thienyl)nicotinonitrile (CAS 313402-79-8) is a chemical compound with molecular formula C14H12N2S2 and molecular weight 272.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-cyclopropyl-2-methylsulfanyl-4-thiophen-2-ylpyridine-3-carbonitrile
Also Known As: 6-cyclopropyl-2-(methylsulfanyl)-4-(2-thienyl)nicotinonitrile, 6-cyclopropyl-2-(methylthio)-4-thien-2-ylnicotinonitrile, AS-871/13054234, 6-cyclopropyl-2-methylsulfanyl-4-thiophen-2-ylpyridine-3-carbonitrile, 6-cyclopropyl-2-(methylthio)-4-(2-thienyl)nicotinonitrile
| Molecular Formula | C14H12N2S2 |
|---|---|
| Molecular Weight | 272.04 g/mol |
| LogP | 4.28108 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.0442 |
| Heavy Atoms | 18 |
| Complexity | 607.4645 |
Chemical Identifiers
| CAS Number | 313402-79-8 |
|---|---|
| SMILES | CSC1=C(C(=CC(=N1)C2CC2)C3=CC=CS3)C#N |
Product Overview
6-Cyclopropyl-2-(methylsulfanyl)-4-(2-thienyl)nicotinonitrile (CAS 313402-79-8), with molecular formula C14H12N2S2 and molecular weight 272.04 g/mol. IUPAC: 6-cyclopropyl-2-methylsulfanyl-4-thiophen-2-ylpyridine-3-carbonitrile.
Chemical Property Profile of 6-Cyclopropyl-2-(methylsulfanyl)-4-(2-thienyl)nicotinonitrile
Property Insights of 6-Cyclopropyl-2-(methylsulfanyl)-4-(2-thienyl)nicotinonitrile
The XLogP value of 4.28108 indicates that 6-Cyclopropyl-2-(methylsulfanyl)-4-(2-thienyl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 6-Cyclopropyl-2-(methylsulfanyl)-4-(2-thienyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Cyclopropyl-2-(methylsulfanyl)-4-(2-thienyl)nicotinonitrile 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 6-Cyclopropyl-2-(methylsulfanyl)-4-(2-thienyl)nicotinonitrile?
The CAS number of 6-Cyclopropyl-2-(methylsulfanyl)-4-(2-thienyl)nicotinonitrile is 313402-79-8.
What is the molecular formula of 6-Cyclopropyl-2-(methylsulfanyl)-4-(2-thienyl)nicotinonitrile?
The molecular formula of 6-Cyclopropyl-2-(methylsulfanyl)-4-(2-thienyl)nicotinonitrile is C14H12N2S2.
What is the molecular weight of 6-Cyclopropyl-2-(methylsulfanyl)-4-(2-thienyl)nicotinonitrile?
The molecular weight of 6-Cyclopropyl-2-(methylsulfanyl)-4-(2-thienyl)nicotinonitrile is 272.04 g/mol.
Where can I buy 6-Cyclopropyl-2-(methylsulfanyl)-4-(2-thienyl)nicotinonitrile?
You can request a quote for 6-Cyclopropyl-2-(methylsulfanyl)-4-(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 6-Cyclopropyl-2-(methylsulfanyl)-4-(2-thienyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Cyclopropyl-2-(methylsulfanyl)-4-(2-thienyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.