Benzenesulfonic acid, thio-, S-trichlorovinyl ester
TL;DR: Benzenesulfonic acid, thio-, S-trichlorovinyl ester (CAS 166274-69-7) is a chemical compound with molecular formula C8H5Cl3O2S2 and molecular weight 301.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2,2-trichloroethylsulfonyl)-7-thiabicyclo[4.1.0]hepta-1(6),2,4-triene
Also Known As: S-Trichlorovinyl benzenethiosulfonate, Benzenesulfonic acid, thio-, S-trichlorovinyl ester, Benzenethiosulfonic acid S-(trichlorovinyl) ester, Benzenesulfonic acid, thio-, S-(trichlorovinyl) ester, 2-(1,2,2-trichloroethylsulfonyl)-7-thiabicyclo[4.1.0]hepta-1(6),2,4-triene
| Molecular Formula | C8H5Cl3O2S2 |
|---|---|
| Molecular Weight | 301.88 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.87967 |
| Heavy Atoms | 15 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 166274-69-7 |
|---|---|
| SMILES | C1=CC2=C(S2)C(=C1)S(=O)(=O)C(C(Cl)Cl)Cl |
| InChIKey | IKFFSQBWFKYGIO-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, thio-, S-trichlorovinyl ester (CAS 166274-69-7), with molecular formula C8H5Cl3O2S2 and molecular weight 301.88 g/mol. IUPAC: 2-(1,2,2-trichloroethylsulfonyl)-7-thiabicyclo[4.1.0]hepta-1(6),2,4-triene.
Chemical Property Profile of Benzenesulfonic acid, thio-, S-trichlorovinyl ester
Property Insights of Benzenesulfonic acid, thio-, S-trichlorovinyl ester
The XLogP value of 3.0 indicates that Benzenesulfonic acid, thio-, S-trichlorovinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, thio-, S-trichlorovinyl ester. Following Lipinski's Rule of Five, Benzenesulfonic acid, thio-, S-trichlorovinyl ester 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 Benzenesulfonic acid, thio-, S-trichlorovinyl ester?
The CAS number of Benzenesulfonic acid, thio-, S-trichlorovinyl ester is 166274-69-7.
What is the molecular formula of Benzenesulfonic acid, thio-, S-trichlorovinyl ester?
The molecular formula of Benzenesulfonic acid, thio-, S-trichlorovinyl ester is C8H5Cl3O2S2.
What is the molecular weight of Benzenesulfonic acid, thio-, S-trichlorovinyl ester?
The molecular weight of Benzenesulfonic acid, thio-, S-trichlorovinyl ester is 301.88 g/mol.
Where can I buy Benzenesulfonic acid, thio-, S-trichlorovinyl ester?
You can request a quote for Benzenesulfonic acid, thio-, S-trichlorovinyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, thio-, S-trichlorovinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, thio-, S-trichlorovinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.