![1-Chloro-2-[4-(methylsulfanyl)phenyl]vinyl methyl sulfoxide structure](/static/products/957/957501-91-6.png)
1-Chloro-2-[4-(methylsulfanyl)phenyl]vinyl methyl sulfoxide
TL;DR: 1-Chloro-2-[4-(methylsulfanyl)phenyl]vinyl methyl sulfoxide (CAS 957501-91-6) is a chemical compound with molecular formula C10H11ClOS2 and molecular weight 245.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(Z)-2-chloro-2-methylsulfinylethenyl]-4-methylsulfanylbenzene
Also Known As: 1-chloro-2-[4-(methylsulfanyl)phenyl]vinyl methyl sulfoxide, 1-[(Z)-2-chloro-2-methylsulfinylethenyl]-4-methylsulfanylbenzene, (1Z)-1-chloro-1-(methylsulfinyl)-2-(4-methylthiophenyl)ethene, (Z)-(4-(2-Chloro-2-(methylsulfinyl)vinyl)phenyl)(methyl)sulfane
| Molecular Formula | C10H11ClOS2 |
|---|---|
| Molecular Weight | 245.99 g/mol |
| LogP | 3.3242 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.99399 |
| Heavy Atoms | 14 |
| Complexity | 356.88968 |
Chemical Identifiers
| CAS Number | 957501-91-6 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)/C=C(/S(=O)C)\Cl |
Product Overview
1-Chloro-2-[4-(methylsulfanyl)phenyl]vinyl methyl sulfoxide (CAS 957501-91-6), with molecular formula C10H11ClOS2 and molecular weight 245.99 g/mol. IUPAC: 1-[(Z)-2-chloro-2-methylsulfinylethenyl]-4-methylsulfanylbenzene.
Chemical Property Profile of 1-Chloro-2-[4-(methylsulfanyl)phenyl]vinyl methyl sulfoxide
Property Insights of 1-Chloro-2-[4-(methylsulfanyl)phenyl]vinyl methyl sulfoxide
The XLogP value of 3.3242 indicates that 1-Chloro-2-[4-(methylsulfanyl)phenyl]vinyl methyl sulfoxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 1-Chloro-2-[4-(methylsulfanyl)phenyl]vinyl methyl sulfoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2-[4-(methylsulfanyl)phenyl]vinyl methyl sulfoxide has 0 hydrogen bond donor(s) and 2 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 1-Chloro-2-[4-(methylsulfanyl)phenyl]vinyl methyl sulfoxide?
The CAS number of 1-Chloro-2-[4-(methylsulfanyl)phenyl]vinyl methyl sulfoxide is 957501-91-6.
What is the molecular formula of 1-Chloro-2-[4-(methylsulfanyl)phenyl]vinyl methyl sulfoxide?
The molecular formula of 1-Chloro-2-[4-(methylsulfanyl)phenyl]vinyl methyl sulfoxide is C10H11ClOS2.
What is the molecular weight of 1-Chloro-2-[4-(methylsulfanyl)phenyl]vinyl methyl sulfoxide?
The molecular weight of 1-Chloro-2-[4-(methylsulfanyl)phenyl]vinyl methyl sulfoxide is 245.99 g/mol.
Where can I buy 1-Chloro-2-[4-(methylsulfanyl)phenyl]vinyl methyl sulfoxide?
You can request a quote for 1-Chloro-2-[4-(methylsulfanyl)phenyl]vinyl methyl sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-2-[4-(methylsulfanyl)phenyl]vinyl methyl sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2-[4-(methylsulfanyl)phenyl]vinyl methyl sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.