3,3-Bis(benzylsulfanyl)-2-(trifluoromethyl)prop-2-enenitrile
TL;DR: 3,3-Bis(benzylsulfanyl)-2-(trifluoromethyl)prop-2-enenitrile (CAS 399557-60-9) is a chemical compound with molecular formula C18H14F3NS2 and molecular weight 365.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(benzylsulfanyl)-2-(trifluoromethyl)prop-2-enenitrile
Also Known As: bis(benzylthio)-2-trifluoro-methylacrylonitrile, 3,3-bis(benzylsulfanyl)-2-(trifluoromethyl)prop-2-enenitrile, 3,3-bis(benzylthio)-2-(trifluoromethyl)acrylonitrile
| Molecular Formula | C18H14F3NS2 |
|---|---|
| Molecular Weight | 365.05 g/mol |
| LogP | 6.15068 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.05197 |
| Heavy Atoms | 24 |
| Complexity | 673.92426 |
Chemical Identifiers
| CAS Number | 399557-60-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=C(C#N)C(F)(F)F)SCC2=CC=CC=C2 |
Product Overview
3,3-Bis(benzylsulfanyl)-2-(trifluoromethyl)prop-2-enenitrile (CAS 399557-60-9), with molecular formula C18H14F3NS2 and molecular weight 365.05 g/mol. IUPAC: 3,3-bis(benzylsulfanyl)-2-(trifluoromethyl)prop-2-enenitrile.
Chemical Property Profile of 3,3-Bis(benzylsulfanyl)-2-(trifluoromethyl)prop-2-enenitrile
Property Insights of 3,3-Bis(benzylsulfanyl)-2-(trifluoromethyl)prop-2-enenitrile
The XLogP value of 6.15068 indicates that 3,3-Bis(benzylsulfanyl)-2-(trifluoromethyl)prop-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(benzylsulfanyl)-2-(trifluoromethyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Bis(benzylsulfanyl)-2-(trifluoromethyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3-Bis(benzylsulfanyl)-2-(trifluoromethyl)prop-2-enenitrile?
The CAS number of 3,3-Bis(benzylsulfanyl)-2-(trifluoromethyl)prop-2-enenitrile is 399557-60-9.
What is the molecular formula of 3,3-Bis(benzylsulfanyl)-2-(trifluoromethyl)prop-2-enenitrile?
The molecular formula of 3,3-Bis(benzylsulfanyl)-2-(trifluoromethyl)prop-2-enenitrile is C18H14F3NS2.
What is the molecular weight of 3,3-Bis(benzylsulfanyl)-2-(trifluoromethyl)prop-2-enenitrile?
The molecular weight of 3,3-Bis(benzylsulfanyl)-2-(trifluoromethyl)prop-2-enenitrile is 365.05 g/mol.
Where can I buy 3,3-Bis(benzylsulfanyl)-2-(trifluoromethyl)prop-2-enenitrile?
You can request a quote for 3,3-Bis(benzylsulfanyl)-2-(trifluoromethyl)prop-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(benzylsulfanyl)-2-(trifluoromethyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Bis(benzylsulfanyl)-2-(trifluoromethyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.