1-((2,2-Dichloroethenyl)sulfonyl)-4-methylbenzene
TL;DR: 1-((2,2-Dichloroethenyl)sulfonyl)-4-methylbenzene (CAS 30749-26-9) is a chemical compound with molecular formula C9H8Cl2O2S and molecular weight 249.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,2-dichloroethenylsulfonyl)-4-methylbenzene
Also Known As: 1-[(2,2-dichloroethenyl)sulfonyl]-4-methylbenzene, 1,1-Dichloro-2-p-tolylsulphonylethene, 1-(2,2-dichloroethenylsulfonyl)-4-methylbenzene, 1-(2,2-DICHLOROETHENESULFONYL)-4-METHYLBENZENE, 1-[(2,2-Dichlorovinyl)sulfonyl]-4-methylbenzene
| Molecular Formula | C9H8Cl2O2S |
|---|---|
| Molecular Weight | 249.96 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.9622 |
| Heavy Atoms | 14 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 30749-26-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C=C(Cl)Cl |
| InChIKey | APFAPRPRHJTPDZ-UHFFFAOYSA-N |
Product Overview
1-((2,2-Dichloroethenyl)sulfonyl)-4-methylbenzene (CAS 30749-26-9), with molecular formula C9H8Cl2O2S and molecular weight 249.96 g/mol. IUPAC: 1-(2,2-dichloroethenylsulfonyl)-4-methylbenzene.
Chemical Property Profile of 1-((2,2-Dichloroethenyl)sulfonyl)-4-methylbenzene
Property Insights of 1-((2,2-Dichloroethenyl)sulfonyl)-4-methylbenzene
The XLogP value of 3.1 indicates that 1-((2,2-Dichloroethenyl)sulfonyl)-4-methylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 1-((2,2-Dichloroethenyl)sulfonyl)-4-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((2,2-Dichloroethenyl)sulfonyl)-4-methylbenzene 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-((2,2-Dichloroethenyl)sulfonyl)-4-methylbenzene?
The CAS number of 1-((2,2-Dichloroethenyl)sulfonyl)-4-methylbenzene is 30749-26-9.
What is the molecular formula of 1-((2,2-Dichloroethenyl)sulfonyl)-4-methylbenzene?
The molecular formula of 1-((2,2-Dichloroethenyl)sulfonyl)-4-methylbenzene is C9H8Cl2O2S.
What is the molecular weight of 1-((2,2-Dichloroethenyl)sulfonyl)-4-methylbenzene?
The molecular weight of 1-((2,2-Dichloroethenyl)sulfonyl)-4-methylbenzene is 249.96 g/mol.
Where can I buy 1-((2,2-Dichloroethenyl)sulfonyl)-4-methylbenzene?
You can request a quote for 1-((2,2-Dichloroethenyl)sulfonyl)-4-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((2,2-Dichloroethenyl)sulfonyl)-4-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-((2,2-Dichloroethenyl)sulfonyl)-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.