![2-[(1,3-Benzodioxol-5-ylmethyl)thio]-4,6-dimethylnicotinonitrile structure](/static/products/6909/690961-38-7.webp)
2-[(1,3-Benzodioxol-5-ylmethyl)thio]-4,6-dimethylnicotinonitrile
TL;DR: 2-[(1,3-Benzodioxol-5-ylmethyl)thio]-4,6-dimethylnicotinonitrile (CAS 690961-38-7) is a chemical compound with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
Also Known As: 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-4,6-dimethylnicotinonitrile, 2-[(1,3-benzodioxol-5-ylmethyl)thio]-4,6-dimethylnicotinonitrile, 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile, 2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile, 2-[(2H-1,3-benzodioxol-5-yl)methylthio]-4,6-dimethylnicotinonitrile
| Molecular Formula | C16H14N2O2S |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 3.59112 |
| Topological Polar Surface Area | 55.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.0776 |
| Heavy Atoms | 21 |
| Complexity | 737.78735 |
Chemical Identifiers
| CAS Number | 690961-38-7 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC2=CC3=C(C=C2)OCO3)C |
Product Overview
2-[(1,3-Benzodioxol-5-ylmethyl)thio]-4,6-dimethylnicotinonitrile (CAS 690961-38-7), with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of 2-[(1,3-Benzodioxol-5-ylmethyl)thio]-4,6-dimethylnicotinonitrile
Property Insights of 2-[(1,3-Benzodioxol-5-ylmethyl)thio]-4,6-dimethylnicotinonitrile
The XLogP value of 3.59112 indicates that 2-[(1,3-Benzodioxol-5-ylmethyl)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 55.14 Ų, 2-[(1,3-Benzodioxol-5-ylmethyl)thio]-4,6-dimethylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(1,3-Benzodioxol-5-ylmethyl)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-[(1,3-Benzodioxol-5-ylmethyl)thio]-4,6-dimethylnicotinonitrile?
The CAS number of 2-[(1,3-Benzodioxol-5-ylmethyl)thio]-4,6-dimethylnicotinonitrile is 690961-38-7.
What is the molecular formula of 2-[(1,3-Benzodioxol-5-ylmethyl)thio]-4,6-dimethylnicotinonitrile?
The molecular formula of 2-[(1,3-Benzodioxol-5-ylmethyl)thio]-4,6-dimethylnicotinonitrile is C16H14N2O2S.
What is the molecular weight of 2-[(1,3-Benzodioxol-5-ylmethyl)thio]-4,6-dimethylnicotinonitrile?
The molecular weight of 2-[(1,3-Benzodioxol-5-ylmethyl)thio]-4,6-dimethylnicotinonitrile is 298.08 g/mol.
Where can I buy 2-[(1,3-Benzodioxol-5-ylmethyl)thio]-4,6-dimethylnicotinonitrile?
You can request a quote for 2-[(1,3-Benzodioxol-5-ylmethyl)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-[(1,3-Benzodioxol-5-ylmethyl)thio]-4,6-dimethylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,3-Benzodioxol-5-ylmethyl)thio]-4,6-dimethylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.