![2-[2-(4-Chloro-benzenesulfonyl)-ethylsulfanyl]-4,6-dimethyl-nicotinonitrile structure](/static/products/5001/500147-04-6.webp)
2-[2-(4-Chloro-benzenesulfonyl)-ethylsulfanyl]-4,6-dimethyl-nicotinonitrile
TL;DR: 2-[2-(4-Chloro-benzenesulfonyl)-ethylsulfanyl]-4,6-dimethyl-nicotinonitrile (CAS 500147-04-6) is a chemical compound with molecular formula C16H15ClN2O2S2 and molecular weight 366.02634 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
Also Known As: BAS 06900263, 2-[2-(4-Chloro-benzenesulfonyl)-ethylsulfanyl]-4,6-dimethyl-nicotinonitrile, 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile, 2-((2-((4-chlorophenyl)sulfonyl)ethyl)thio)-4,6-dimethylnicotinonitrile, 2-({2-[(4-chlorophenyl)sulfonyl]ethyl}sulfanyl)-4,6-dimethylpyridine-3-carbonitrile
Technical Specifications
| Molecular Formula | C16H15ClN2O2S2 |
| Molecular Weight | 366.02634 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.02634 Da |
| Heavy Atoms | 23 |
| Complexity | 532.0 |
| SMILES | CC1=CC(=NC(=C1C#N)SCCS(=O)(=O)C2=CC=C(C=C2)Cl)C |
| InChIKey | AJFWPKUMBLFVNG-UHFFFAOYSA-N |
Chemical Property Profile of 2-[2-(4-Chloro-benzenesulfonyl)-ethylsulfanyl]-4,6-dimethyl-nicotinonitrile
Property Insights of 2-[2-(4-Chloro-benzenesulfonyl)-ethylsulfanyl]-4,6-dimethyl-nicotinonitrile
The XLogP value of 3.7 indicates that 2-[2-(4-Chloro-benzenesulfonyl)-ethylsulfanyl]-4,6-dimethyl-nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(4-Chloro-benzenesulfonyl)-ethylsulfanyl]-4,6-dimethyl-nicotinonitrile. Following Lipinski's Rule of Five, 2-[2-(4-Chloro-benzenesulfonyl)-ethylsulfanyl]-4,6-dimethyl-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
What is the CAS number of 2-[2-(4-Chloro-benzenesulfonyl)-ethylsulfanyl]-4,6-dimethyl-nicotinonitrile?
The CAS number of 2-[2-(4-Chloro-benzenesulfonyl)-ethylsulfanyl]-4,6-dimethyl-nicotinonitrile is 500147-04-6.
What is the molecular formula of 2-[2-(4-Chloro-benzenesulfonyl)-ethylsulfanyl]-4,6-dimethyl-nicotinonitrile?
The molecular formula of 2-[2-(4-Chloro-benzenesulfonyl)-ethylsulfanyl]-4,6-dimethyl-nicotinonitrile is C16H15ClN2O2S2.
What is the molecular weight of 2-[2-(4-Chloro-benzenesulfonyl)-ethylsulfanyl]-4,6-dimethyl-nicotinonitrile?
The molecular weight of 2-[2-(4-Chloro-benzenesulfonyl)-ethylsulfanyl]-4,6-dimethyl-nicotinonitrile is 366.02634 g/mol.
Where can I buy 2-[2-(4-Chloro-benzenesulfonyl)-ethylsulfanyl]-4,6-dimethyl-nicotinonitrile?
You can request a quote for 2-[2-(4-Chloro-benzenesulfonyl)-ethylsulfanyl]-4,6-dimethyl-nicotinonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[2-(4-Chloro-benzenesulfonyl)-ethylsulfanyl]-4,6-dimethyl-nicotinonitrile?
Yes, CoreyChem provides custom synthesis services for 2-[2-(4-Chloro-benzenesulfonyl)-ethylsulfanyl]-4,6-dimethyl-nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.