4,6-Dimethyl-2-(prop-2-yn-1-ylsulfanyl)pyridine-3-carbonitrile
TL;DR: 4,6-Dimethyl-2-(prop-2-yn-1-ylsulfanyl)pyridine-3-carbonitrile (CAS 285980-92-9) is a chemical compound with molecular formula C11H10N2S and molecular weight 202.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile
Also Known As: Maybridge1_005893, BIM-0034062.P001, 4,6-dimethyl-2-(prop-2-ynylthio)nicotinonitrile, AB00097796-01, 4,6-dimethyl-2-(2-propynylsulfanyl)nicotinonitrile
| Molecular Formula | C11H10N2S |
|---|---|
| Molecular Weight | 202.06 g/mol |
| LogP | 2.29542 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.05647 |
| Heavy Atoms | 14 |
| Complexity | 424.13928 |
Chemical Identifiers
| CAS Number | 285980-92-9 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC#C)C |
Product Overview
4,6-Dimethyl-2-(prop-2-yn-1-ylsulfanyl)pyridine-3-carbonitrile (CAS 285980-92-9), with molecular formula C11H10N2S and molecular weight 202.06 g/mol. IUPAC: 4,6-dimethyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 4,6-Dimethyl-2-(prop-2-yn-1-ylsulfanyl)pyridine-3-carbonitrile
Property Insights of 4,6-Dimethyl-2-(prop-2-yn-1-ylsulfanyl)pyridine-3-carbonitrile
The XLogP value of 2.29542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dimethyl-2-(prop-2-yn-1-ylsulfanyl)pyridine-3-carbonitrile. With a topological polar surface area (TPSA) of 36.68 Ų, 4,6-Dimethyl-2-(prop-2-yn-1-ylsulfanyl)pyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dimethyl-2-(prop-2-yn-1-ylsulfanyl)pyridine-3-carbonitrile 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-(prop-2-yn-1-ylsulfanyl)pyridine-3-carbonitrile?
The CAS number of 4,6-Dimethyl-2-(prop-2-yn-1-ylsulfanyl)pyridine-3-carbonitrile is 285980-92-9.
What is the molecular formula of 4,6-Dimethyl-2-(prop-2-yn-1-ylsulfanyl)pyridine-3-carbonitrile?
The molecular formula of 4,6-Dimethyl-2-(prop-2-yn-1-ylsulfanyl)pyridine-3-carbonitrile is C11H10N2S.
What is the molecular weight of 4,6-Dimethyl-2-(prop-2-yn-1-ylsulfanyl)pyridine-3-carbonitrile?
The molecular weight of 4,6-Dimethyl-2-(prop-2-yn-1-ylsulfanyl)pyridine-3-carbonitrile is 202.06 g/mol.
Where can I buy 4,6-Dimethyl-2-(prop-2-yn-1-ylsulfanyl)pyridine-3-carbonitrile?
You can request a quote for 4,6-Dimethyl-2-(prop-2-yn-1-ylsulfanyl)pyridine-3-carbonitrile 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-(prop-2-yn-1-ylsulfanyl)pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethyl-2-(prop-2-yn-1-ylsulfanyl)pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.