![4,6-Dimethyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinonitrile structure](/static/products/4778/477888-09-8.webp)
4,6-Dimethyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinonitrile
TL;DR: 4,6-Dimethyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinonitrile (CAS 477888-09-8) is a chemical compound with molecular formula C12H11F3N2S and molecular weight 272.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine-3-carbonitrile
Also Known As: 4,6-dimethyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinonitrile, 4,6-dimethyl-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]pyridine-3-carbonitrile, 2P-714, 4,6-dimethyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine-3-carbonitrile
| Molecular Formula | C12H11F3N2S |
|---|---|
| Molecular Weight | 272.06 g/mol |
| LogP | 4.12992 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.0595 |
| Heavy Atoms | 18 |
| Complexity | 516.7892 |
Chemical Identifiers
| CAS Number | 477888-09-8 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCCC(=C(F)F)F)C |
Product Overview
4,6-Dimethyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinonitrile (CAS 477888-09-8), with molecular formula C12H11F3N2S and molecular weight 272.06 g/mol. IUPAC: 4,6-dimethyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine-3-carbonitrile.
Chemical Property Profile of 4,6-Dimethyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinonitrile
Property Insights of 4,6-Dimethyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinonitrile
The XLogP value of 4.12992 indicates that 4,6-Dimethyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]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-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dimethyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]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-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinonitrile?
The CAS number of 4,6-Dimethyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinonitrile is 477888-09-8.
What is the molecular formula of 4,6-Dimethyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinonitrile?
The molecular formula of 4,6-Dimethyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinonitrile is C12H11F3N2S.
What is the molecular weight of 4,6-Dimethyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinonitrile?
The molecular weight of 4,6-Dimethyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinonitrile is 272.06 g/mol.
Where can I buy 4,6-Dimethyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinonitrile?
You can request a quote for 4,6-Dimethyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]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-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethyl-2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.