3,3-Bis(methylsulfanyl)-2-thiophen-2-ylprop-2-enenitrile
TL;DR: 3,3-Bis(methylsulfanyl)-2-thiophen-2-ylprop-2-enenitrile (CAS 134129-36-5) is a chemical compound with molecular formula C9H9NS3 and molecular weight 226.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(methylsulfanyl)-2-thiophen-2-ylprop-2-enenitrile
Also Known As: 3,3-bis(methylthio)-2-(2-thienyl)acrylonitrile, 3,3-bis(methylsulfanyl)-2-(thiophen-2-yl)prop-2-enenitrile, 3,3-bis(methylsulfanyl)-2-thiophen-2-ylprop-2-enenitrile
| Molecular Formula | C9H9NS3 |
|---|---|
| Molecular Weight | 226.99 g/mol |
| LogP | 3.66628 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.98972 |
| Heavy Atoms | 13 |
| Complexity | 326.24182 |
Chemical Identifiers
| CAS Number | 134129-36-5 |
|---|---|
| SMILES | CSC(=C(C#N)C1=CC=CS1)SC |
Product Overview
3,3-Bis(methylsulfanyl)-2-thiophen-2-ylprop-2-enenitrile (CAS 134129-36-5), with molecular formula C9H9NS3 and molecular weight 226.99 g/mol. IUPAC: 3,3-bis(methylsulfanyl)-2-thiophen-2-ylprop-2-enenitrile.
Chemical Property Profile of 3,3-Bis(methylsulfanyl)-2-thiophen-2-ylprop-2-enenitrile
Property Insights of 3,3-Bis(methylsulfanyl)-2-thiophen-2-ylprop-2-enenitrile
The XLogP value of 3.66628 indicates that 3,3-Bis(methylsulfanyl)-2-thiophen-2-ylprop-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-thiophen-2-ylprop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Bis(methylsulfanyl)-2-thiophen-2-ylprop-2-enenitrile 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-Bis(methylsulfanyl)-2-thiophen-2-ylprop-2-enenitrile?
The CAS number of 3,3-Bis(methylsulfanyl)-2-thiophen-2-ylprop-2-enenitrile is 134129-36-5.
What is the molecular formula of 3,3-Bis(methylsulfanyl)-2-thiophen-2-ylprop-2-enenitrile?
The molecular formula of 3,3-Bis(methylsulfanyl)-2-thiophen-2-ylprop-2-enenitrile is C9H9NS3.
What is the molecular weight of 3,3-Bis(methylsulfanyl)-2-thiophen-2-ylprop-2-enenitrile?
The molecular weight of 3,3-Bis(methylsulfanyl)-2-thiophen-2-ylprop-2-enenitrile is 226.99 g/mol.
Where can I buy 3,3-Bis(methylsulfanyl)-2-thiophen-2-ylprop-2-enenitrile?
You can request a quote for 3,3-Bis(methylsulfanyl)-2-thiophen-2-ylprop-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-thiophen-2-ylprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Bis(methylsulfanyl)-2-thiophen-2-ylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.