3,3-Di(ethylthio)-2-(2-pyridyl)acrylonitrile
TL;DR: 3,3-Di(ethylthio)-2-(2-pyridyl)acrylonitrile (CAS 175204-16-7) is a chemical compound with molecular formula C12H14N2S2 and molecular weight 250.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(ethylsulfanyl)-2-pyridin-2-ylprop-2-enenitrile
Also Known As: 3,3-di(ethylthio)-2-(2-pyridyl)acrylonitrile, 3,3-bis(ethylsulfanyl)-2-pyridin-2-ylprop-2-enenitrile, 2-Pyridineacetonitrile,a-[bis(ethylthio)methylene]-, 2-Pyridineacetonitrile, alpha-[bis(ethylthio)methylene]-, 3,3-bis(ethylsulfanyl)-2-(pyridin-2-yl)prop-2-enenitrile
| Molecular Formula | C12H14N2S2 |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 3.77998 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.05984 |
| Heavy Atoms | 16 |
| Complexity | 385.22983 |
Chemical Identifiers
| CAS Number | 175204-16-7 |
|---|---|
| SMILES | CCSC(=C(C#N)C1=CC=CC=N1)SCC |
Product Overview
3,3-Di(ethylthio)-2-(2-pyridyl)acrylonitrile (CAS 175204-16-7), with molecular formula C12H14N2S2 and molecular weight 250.06 g/mol. IUPAC: 3,3-bis(ethylsulfanyl)-2-pyridin-2-ylprop-2-enenitrile.
Chemical Property Profile of 3,3-Di(ethylthio)-2-(2-pyridyl)acrylonitrile
Property Insights of 3,3-Di(ethylthio)-2-(2-pyridyl)acrylonitrile
The XLogP value of 3.77998 indicates that 3,3-Di(ethylthio)-2-(2-pyridyl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 3,3-Di(ethylthio)-2-(2-pyridyl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Di(ethylthio)-2-(2-pyridyl)acrylonitrile 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 3,3-Di(ethylthio)-2-(2-pyridyl)acrylonitrile?
The CAS number of 3,3-Di(ethylthio)-2-(2-pyridyl)acrylonitrile is 175204-16-7.
What is the molecular formula of 3,3-Di(ethylthio)-2-(2-pyridyl)acrylonitrile?
The molecular formula of 3,3-Di(ethylthio)-2-(2-pyridyl)acrylonitrile is C12H14N2S2.
What is the molecular weight of 3,3-Di(ethylthio)-2-(2-pyridyl)acrylonitrile?
The molecular weight of 3,3-Di(ethylthio)-2-(2-pyridyl)acrylonitrile is 250.06 g/mol.
Where can I buy 3,3-Di(ethylthio)-2-(2-pyridyl)acrylonitrile?
You can request a quote for 3,3-Di(ethylthio)-2-(2-pyridyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Di(ethylthio)-2-(2-pyridyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Di(ethylthio)-2-(2-pyridyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.