2-Ethylsulfanylquinoline-3-carbonitrile
TL;DR: 2-Ethylsulfanylquinoline-3-carbonitrile (CAS 148119-56-6) is a chemical compound with molecular formula C12H10N2S and molecular weight 214.05647 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylsulfanylquinoline-3-carbonitrile
Also Known As: 3-Quinolinecarbonitrile, 2-(ethylthio)-, ASN 07187254, 2-ethylsulfanylquinoline-3-carbonitrile, 2-Ethylsulfanyl-quinoline-3-carbonitrile
Technical Specifications
| Molecular Formula | C12H10N2S |
| Molecular Weight | 214.05647 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 62.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.05647 Da |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
| SMILES | CCSC1=NC2=CC=CC=C2C=C1C#N |
| InChIKey | HIWWXGVRCSNPBZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Ethylsulfanylquinoline-3-carbonitrile
Property Insights of 2-Ethylsulfanylquinoline-3-carbonitrile
The XLogP value of 3.1 indicates that 2-Ethylsulfanylquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethylsulfanylquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-Ethylsulfanylquinoline-3-carbonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Ethylsulfanylquinoline-3-carbonitrile?
The CAS number of 2-Ethylsulfanylquinoline-3-carbonitrile is 148119-56-6.
What is the molecular formula of 2-Ethylsulfanylquinoline-3-carbonitrile?
The molecular formula of 2-Ethylsulfanylquinoline-3-carbonitrile is C12H10N2S.
What is the molecular weight of 2-Ethylsulfanylquinoline-3-carbonitrile?
The molecular weight of 2-Ethylsulfanylquinoline-3-carbonitrile is 214.05647 g/mol.
Where can I buy 2-Ethylsulfanylquinoline-3-carbonitrile?
You can request a quote for 2-Ethylsulfanylquinoline-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethylsulfanylquinoline-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Ethylsulfanylquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.