2-(2-Chlorobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile
TL;DR: 2-(2-Chlorobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile (CAS 175137-51-6) is a chemical compound with molecular formula C12H10ClNOS2 and molecular weight 282.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chlorobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile
Also Known As: Maybridge3_003379, IDI1_014766, 2-(2-chlorobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile, 2-(2-chlorobenzoyl)-3,3-di(methylthio)acrylonitrile, 2-(2-Chlorobenzoyl)-3,3-bis(methylthio)acrylonitrile
| Molecular Formula | C12H10ClNOS2 |
|---|---|
| Molecular Weight | 282.99 g/mol |
| LogP | 3.98388 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.98923 |
| Heavy Atoms | 17 |
| Complexity | 499.47226 |
Chemical Identifiers
| CAS Number | 175137-51-6 |
|---|---|
| SMILES | CSC(=C(C#N)C(=O)C1=CC=CC=C1Cl)SC |
Product Overview
2-(2-Chlorobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile (CAS 175137-51-6), with molecular formula C12H10ClNOS2 and molecular weight 282.99 g/mol. IUPAC: 2-(2-chlorobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile.
Chemical Property Profile of 2-(2-Chlorobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile
Property Insights of 2-(2-Chlorobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile
The XLogP value of 3.98388 indicates that 2-(2-Chlorobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 2-(2-Chlorobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chlorobenzoyl)-3,3-bis(methylsulfanyl)prop-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 2-(2-Chlorobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile?
The CAS number of 2-(2-Chlorobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile is 175137-51-6.
What is the molecular formula of 2-(2-Chlorobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile?
The molecular formula of 2-(2-Chlorobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile is C12H10ClNOS2.
What is the molecular weight of 2-(2-Chlorobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile?
The molecular weight of 2-(2-Chlorobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile is 282.99 g/mol.
Where can I buy 2-(2-Chlorobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile?
You can request a quote for 2-(2-Chlorobenzoyl)-3,3-bis(methylsulfanyl)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 2-(2-Chlorobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chlorobenzoyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.