4,6-Dimethyl-2-(2-methyl-benzylsulfanyl)-nicotinonitrile
TL;DR: 4,6-Dimethyl-2-(2-methyl-benzylsulfanyl)-nicotinonitrile (CAS 352023-49-5) is a chemical compound with molecular formula C16H16N2S and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile
Also Known As: 4,6-dimethyl-2-((2-methylbenzyl)thio)nicotinonitrile, 4,6-Dimethyl-2-(2-methyl-benzylsulfanyl)-nicotinonitrile, 4,6-dimethyl-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile, 4,6-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile
| Molecular Formula | C16H16N2S |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 4.17084 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.10342 |
| Heavy Atoms | 19 |
| Complexity | 641.68256 |
Chemical Identifiers
| CAS Number | 352023-49-5 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC2=C(C(=CC(=N2)C)C)C#N |
Product Overview
4,6-Dimethyl-2-(2-methyl-benzylsulfanyl)-nicotinonitrile (CAS 352023-49-5), with molecular formula C16H16N2S and molecular weight 268.10 g/mol. IUPAC: 4,6-dimethyl-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile.
Chemical Property Profile of 4,6-Dimethyl-2-(2-methyl-benzylsulfanyl)-nicotinonitrile
Property Insights of 4,6-Dimethyl-2-(2-methyl-benzylsulfanyl)-nicotinonitrile
The XLogP value of 4.17084 indicates that 4,6-Dimethyl-2-(2-methyl-benzylsulfanyl)-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, 4,6-Dimethyl-2-(2-methyl-benzylsulfanyl)-nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dimethyl-2-(2-methyl-benzylsulfanyl)-nicotinonitrile 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
Frequently Asked Questions
What is the CAS number of 4,6-Dimethyl-2-(2-methyl-benzylsulfanyl)-nicotinonitrile?
The CAS number of 4,6-Dimethyl-2-(2-methyl-benzylsulfanyl)-nicotinonitrile is 352023-49-5.
What is the molecular formula of 4,6-Dimethyl-2-(2-methyl-benzylsulfanyl)-nicotinonitrile?
The molecular formula of 4,6-Dimethyl-2-(2-methyl-benzylsulfanyl)-nicotinonitrile is C16H16N2S.
What is the molecular weight of 4,6-Dimethyl-2-(2-methyl-benzylsulfanyl)-nicotinonitrile?
The molecular weight of 4,6-Dimethyl-2-(2-methyl-benzylsulfanyl)-nicotinonitrile is 268.10 g/mol.
Where can I buy 4,6-Dimethyl-2-(2-methyl-benzylsulfanyl)-nicotinonitrile?
You can request a quote for 4,6-Dimethyl-2-(2-methyl-benzylsulfanyl)-nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethyl-2-(2-methyl-benzylsulfanyl)-nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethyl-2-(2-methyl-benzylsulfanyl)-nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.