![2-({2-[(4-Tert-butylphenyl)sulfonyl]ethyl}thio)-4,6-dimethylnicotinonitrile structure](/static/products/3712/371203-57-5.webp)
2-({2-[(4-Tert-butylphenyl)sulfonyl]ethyl}thio)-4,6-dimethylnicotinonitrile
TL;DR: 2-({2-[(4-Tert-butylphenyl)sulfonyl]ethyl}thio)-4,6-dimethylnicotinonitrile (CAS 371203-57-5) is a chemical compound with molecular formula C20H24N2O2S2 and molecular weight 388.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
Also Known As: ChemDiv1_009656, AN-329/41717376, 2-({2-[(4-tert-butylphenyl)sulfonyl]ethyl}sulfanyl)-4,6-dimethylnicotinonitrile, 2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile, 2-({2-[(4-tert-butylphenyl)sulfonyl]ethyl}thio)-4,6-dimethylnicotinonitrile
| Molecular Formula | C20H24N2O2S2 |
|---|---|
| Molecular Weight | 388.13 g/mol |
| LogP | 4.43362 |
| Topological Polar Surface Area | 70.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.12793 |
| Heavy Atoms | 26 |
| Complexity | 935.5021 |
Chemical Identifiers
| CAS Number | 371203-57-5 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCCS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C |
Product Overview
2-({2-[(4-Tert-butylphenyl)sulfonyl]ethyl}thio)-4,6-dimethylnicotinonitrile (CAS 371203-57-5), with molecular formula C20H24N2O2S2 and molecular weight 388.13 g/mol. IUPAC: 2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of 2-({2-[(4-Tert-butylphenyl)sulfonyl]ethyl}thio)-4,6-dimethylnicotinonitrile
Property Insights of 2-({2-[(4-Tert-butylphenyl)sulfonyl]ethyl}thio)-4,6-dimethylnicotinonitrile
The XLogP value of 4.43362 indicates that 2-({2-[(4-Tert-butylphenyl)sulfonyl]ethyl}thio)-4,6-dimethylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({2-[(4-Tert-butylphenyl)sulfonyl]ethyl}thio)-4,6-dimethylnicotinonitrile. Following Lipinski's Rule of Five, 2-({2-[(4-Tert-butylphenyl)sulfonyl]ethyl}thio)-4,6-dimethylnicotinonitrile 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-({2-[(4-Tert-butylphenyl)sulfonyl]ethyl}thio)-4,6-dimethylnicotinonitrile?
The CAS number of 2-({2-[(4-Tert-butylphenyl)sulfonyl]ethyl}thio)-4,6-dimethylnicotinonitrile is 371203-57-5.
What is the molecular formula of 2-({2-[(4-Tert-butylphenyl)sulfonyl]ethyl}thio)-4,6-dimethylnicotinonitrile?
The molecular formula of 2-({2-[(4-Tert-butylphenyl)sulfonyl]ethyl}thio)-4,6-dimethylnicotinonitrile is C20H24N2O2S2.
What is the molecular weight of 2-({2-[(4-Tert-butylphenyl)sulfonyl]ethyl}thio)-4,6-dimethylnicotinonitrile?
The molecular weight of 2-({2-[(4-Tert-butylphenyl)sulfonyl]ethyl}thio)-4,6-dimethylnicotinonitrile is 388.13 g/mol.
Where can I buy 2-({2-[(4-Tert-butylphenyl)sulfonyl]ethyl}thio)-4,6-dimethylnicotinonitrile?
You can request a quote for 2-({2-[(4-Tert-butylphenyl)sulfonyl]ethyl}thio)-4,6-dimethylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({2-[(4-Tert-butylphenyl)sulfonyl]ethyl}thio)-4,6-dimethylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-({2-[(4-Tert-butylphenyl)sulfonyl]ethyl}thio)-4,6-dimethylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.