3,3-Bis(methylsulfanyl)-2-phenylprop-2-enenitrile
TL;DR: 3,3-Bis(methylsulfanyl)-2-phenylprop-2-enenitrile (CAS 29866-38-4) is a chemical compound with molecular formula C11H11NS2 and molecular weight 221.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(methylsulfanyl)-2-phenylprop-2-enenitrile
Also Known As: Maybridge1_004005, 2-Phenyl-3,3-bis(methylthio)acrylonitrile, 3,3-bis(methylsulfanyl)-2-phenylprop-2-enenitrile, Benzeneacetonitrile, alpha-[bis(methylthio)methylene]-
| Molecular Formula | C11H11NS2 |
|---|---|
| Molecular Weight | 221.03 g/mol |
| LogP | 3.60478 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.0333 |
| Heavy Atoms | 14 |
| Complexity | 356.62396 |
Chemical Identifiers
| CAS Number | 29866-38-4 |
|---|---|
| SMILES | CSC(=C(C#N)C1=CC=CC=C1)SC |
Product Overview
3,3-Bis(methylsulfanyl)-2-phenylprop-2-enenitrile (CAS 29866-38-4), with molecular formula C11H11NS2 and molecular weight 221.03 g/mol. IUPAC: 3,3-bis(methylsulfanyl)-2-phenylprop-2-enenitrile.
Chemical Property Profile of 3,3-Bis(methylsulfanyl)-2-phenylprop-2-enenitrile
Property Insights of 3,3-Bis(methylsulfanyl)-2-phenylprop-2-enenitrile
The XLogP value of 3.60478 indicates that 3,3-Bis(methylsulfanyl)-2-phenylprop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 3,3-Bis(methylsulfanyl)-2-phenylprop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Bis(methylsulfanyl)-2-phenylprop-2-enenitrile 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 3,3-Bis(methylsulfanyl)-2-phenylprop-2-enenitrile?
The CAS number of 3,3-Bis(methylsulfanyl)-2-phenylprop-2-enenitrile is 29866-38-4.
What is the molecular formula of 3,3-Bis(methylsulfanyl)-2-phenylprop-2-enenitrile?
The molecular formula of 3,3-Bis(methylsulfanyl)-2-phenylprop-2-enenitrile is C11H11NS2.
What is the molecular weight of 3,3-Bis(methylsulfanyl)-2-phenylprop-2-enenitrile?
The molecular weight of 3,3-Bis(methylsulfanyl)-2-phenylprop-2-enenitrile is 221.03 g/mol.
Where can I buy 3,3-Bis(methylsulfanyl)-2-phenylprop-2-enenitrile?
You can request a quote for 3,3-Bis(methylsulfanyl)-2-phenylprop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Bis(methylsulfanyl)-2-phenylprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Bis(methylsulfanyl)-2-phenylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.