1-(4-Chlorophenyl)-2,2-bis(methylsulfanyl)ethanone
TL;DR: 1-(4-Chlorophenyl)-2,2-bis(methylsulfanyl)ethanone (CAS 171897-88-4) 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-(4-chlorophenyl)-2,2-bis(methylsulfanyl)ethanone
Also Known As: 1-(4-chlorophenyl)-2,2-bis(methylthio)ethanone, 1-(4-chlorophenyl)-2,2-bis(methylsulfanyl)ethanone, alpha,alpha-Bis(methylthio)-4 -chloroacetophenone, 1-(4-chlorophenyl)-2,2-bis(methylsulfanyl)ethan-1-one
| Molecular Formula | C10H11ClOS2 |
|---|---|
| Molecular Weight | 245.99 g/mol |
| LogP | 3.5748 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.99399 |
| Heavy Atoms | 14 |
| Complexity | 306.40295 |
Chemical Identifiers
| CAS Number | 171897-88-4 |
|---|---|
| SMILES | CSC(C(=O)C1=CC=C(C=C1)Cl)SC |
Product Overview
1-(4-Chlorophenyl)-2,2-bis(methylsulfanyl)ethanone (CAS 171897-88-4), with molecular formula C10H11ClOS2 and molecular weight 245.99 g/mol. IUPAC: 1-(4-chlorophenyl)-2,2-bis(methylsulfanyl)ethanone.
Chemical Property Profile of 1-(4-Chlorophenyl)-2,2-bis(methylsulfanyl)ethanone
Property Insights of 1-(4-Chlorophenyl)-2,2-bis(methylsulfanyl)ethanone
The XLogP value of 3.5748 indicates that 1-(4-Chlorophenyl)-2,2-bis(methylsulfanyl)ethanone 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-(4-Chlorophenyl)-2,2-bis(methylsulfanyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-2,2-bis(methylsulfanyl)ethanone 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 1-(4-Chlorophenyl)-2,2-bis(methylsulfanyl)ethanone?
The CAS number of 1-(4-Chlorophenyl)-2,2-bis(methylsulfanyl)ethanone is 171897-88-4.
What is the molecular formula of 1-(4-Chlorophenyl)-2,2-bis(methylsulfanyl)ethanone?
The molecular formula of 1-(4-Chlorophenyl)-2,2-bis(methylsulfanyl)ethanone is C10H11ClOS2.
What is the molecular weight of 1-(4-Chlorophenyl)-2,2-bis(methylsulfanyl)ethanone?
The molecular weight of 1-(4-Chlorophenyl)-2,2-bis(methylsulfanyl)ethanone is 245.99 g/mol.
Where can I buy 1-(4-Chlorophenyl)-2,2-bis(methylsulfanyl)ethanone?
You can request a quote for 1-(4-Chlorophenyl)-2,2-bis(methylsulfanyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)-2,2-bis(methylsulfanyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-2,2-bis(methylsulfanyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.