![2-({[(4-Tert-butylphenyl)sulfinyl]methyl}thio)-4,6-dimethylnicotinonitrile structure](/static/products/459/459155-33-0.png)
2-({[(4-Tert-butylphenyl)sulfinyl]methyl}thio)-4,6-dimethylnicotinonitrile
TL;DR: 2-({[(4-Tert-butylphenyl)sulfinyl]methyl}thio)-4,6-dimethylnicotinonitrile (CAS 459155-33-0) is a chemical compound with molecular formula C19H22N2OS2 and molecular weight 358.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-tert-butylphenyl)sulfinylmethylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
Also Known As: 2-({[(4-tert-butylphenyl)sulfinyl]methyl}thio)-4,6-dimethylnicotinonitrile, 2-((((4-(tert-butyl)phenyl)sulfinyl)methyl)thio)-4,6-dimethylnicotinonitrile, 2-({[(4-tert-butylphenyl)sulfinyl]methyl}sulfanyl)-4,6-dimethylpyridine-3-carbonitrile, 2-[(4-tert-butylphenyl)sulfinylmethylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
| Molecular Formula | C19H22N2OS2 |
|---|---|
| Molecular Weight | 358.12 g/mol |
| LogP | 4.72502 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.11737 |
| Heavy Atoms | 24 |
| Complexity | 799.8421 |
Chemical Identifiers
| CAS Number | 459155-33-0 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCS(=O)C2=CC=C(C=C2)C(C)(C)C)C |
Product Overview
2-({[(4-Tert-butylphenyl)sulfinyl]methyl}thio)-4,6-dimethylnicotinonitrile (CAS 459155-33-0), with molecular formula C19H22N2OS2 and molecular weight 358.12 g/mol. IUPAC: 2-[(4-tert-butylphenyl)sulfinylmethylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of 2-({[(4-Tert-butylphenyl)sulfinyl]methyl}thio)-4,6-dimethylnicotinonitrile
Property Insights of 2-({[(4-Tert-butylphenyl)sulfinyl]methyl}thio)-4,6-dimethylnicotinonitrile
The XLogP value of 4.72502 indicates that 2-({[(4-Tert-butylphenyl)sulfinyl]methyl}thio)-4,6-dimethylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, 2-({[(4-Tert-butylphenyl)sulfinyl]methyl}thio)-4,6-dimethylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-({[(4-Tert-butylphenyl)sulfinyl]methyl}thio)-4,6-dimethylnicotinonitrile 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 2-({[(4-Tert-butylphenyl)sulfinyl]methyl}thio)-4,6-dimethylnicotinonitrile?
The CAS number of 2-({[(4-Tert-butylphenyl)sulfinyl]methyl}thio)-4,6-dimethylnicotinonitrile is 459155-33-0.
What is the molecular formula of 2-({[(4-Tert-butylphenyl)sulfinyl]methyl}thio)-4,6-dimethylnicotinonitrile?
The molecular formula of 2-({[(4-Tert-butylphenyl)sulfinyl]methyl}thio)-4,6-dimethylnicotinonitrile is C19H22N2OS2.
What is the molecular weight of 2-({[(4-Tert-butylphenyl)sulfinyl]methyl}thio)-4,6-dimethylnicotinonitrile?
The molecular weight of 2-({[(4-Tert-butylphenyl)sulfinyl]methyl}thio)-4,6-dimethylnicotinonitrile is 358.12 g/mol.
Where can I buy 2-({[(4-Tert-butylphenyl)sulfinyl]methyl}thio)-4,6-dimethylnicotinonitrile?
You can request a quote for 2-({[(4-Tert-butylphenyl)sulfinyl]methyl}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-({[(4-Tert-butylphenyl)sulfinyl]methyl}thio)-4,6-dimethylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-({[(4-Tert-butylphenyl)sulfinyl]methyl}thio)-4,6-dimethylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.