1-(Chlorosulfanyl)-4-(1,2,2,2-tetrachloroethanesulfonyl)benzene
TL;DR: 1-(Chlorosulfanyl)-4-(1,2,2,2-tetrachloroethanesulfonyl)benzene (CAS 16627-04-6) is a chemical compound with molecular formula C8H5Cl5O2S2 and molecular weight 371.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,2,2,2-tetrachloroethylsulfonyl)phenyl] thiohypochlorite
Also Known As: S-(1,2,2,2-Tetrachloroethyl) p-chlorobenzenethiosulfonate, 1-(Chlorosulfanyl)-4-(1,2,2,2-tetrachloroethanesulfonyl)benzene, Benzenesulfonic acid, p-chlorothio-, S-(1,2,2,2-tetrachloroethyl) ester, [4-(1,2,2,2-tetrachloroethylsulfonyl)phenyl] thiohypochlorite, RefChem:1054621
| Molecular Formula | C8H5Cl5O2S2 |
|---|---|
| Molecular Weight | 371.82 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.81735 |
| Heavy Atoms | 17 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 16627-04-6 |
|---|---|
| SMILES | C1=CC(=CC=C1SCl)S(=O)(=O)C(C(Cl)(Cl)Cl)Cl |
| InChIKey | LSTSJSZHVSAISQ-UHFFFAOYSA-N |
Product Overview
1-(Chlorosulfanyl)-4-(1,2,2,2-tetrachloroethanesulfonyl)benzene (CAS 16627-04-6), with molecular formula C8H5Cl5O2S2 and molecular weight 371.82 g/mol. IUPAC: [4-(1,2,2,2-tetrachloroethylsulfonyl)phenyl] thiohypochlorite.
Chemical Property Profile of 1-(Chlorosulfanyl)-4-(1,2,2,2-tetrachloroethanesulfonyl)benzene
Property Insights of 1-(Chlorosulfanyl)-4-(1,2,2,2-tetrachloroethanesulfonyl)benzene
The XLogP value of 4.7 indicates that 1-(Chlorosulfanyl)-4-(1,2,2,2-tetrachloroethanesulfonyl)benzene 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 1-(Chlorosulfanyl)-4-(1,2,2,2-tetrachloroethanesulfonyl)benzene. Following Lipinski's Rule of Five, 1-(Chlorosulfanyl)-4-(1,2,2,2-tetrachloroethanesulfonyl)benzene 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-(Chlorosulfanyl)-4-(1,2,2,2-tetrachloroethanesulfonyl)benzene?
The CAS number of 1-(Chlorosulfanyl)-4-(1,2,2,2-tetrachloroethanesulfonyl)benzene is 16627-04-6.
What is the molecular formula of 1-(Chlorosulfanyl)-4-(1,2,2,2-tetrachloroethanesulfonyl)benzene?
The molecular formula of 1-(Chlorosulfanyl)-4-(1,2,2,2-tetrachloroethanesulfonyl)benzene is C8H5Cl5O2S2.
What is the molecular weight of 1-(Chlorosulfanyl)-4-(1,2,2,2-tetrachloroethanesulfonyl)benzene?
The molecular weight of 1-(Chlorosulfanyl)-4-(1,2,2,2-tetrachloroethanesulfonyl)benzene is 371.82 g/mol.
Where can I buy 1-(Chlorosulfanyl)-4-(1,2,2,2-tetrachloroethanesulfonyl)benzene?
You can request a quote for 1-(Chlorosulfanyl)-4-(1,2,2,2-tetrachloroethanesulfonyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Chlorosulfanyl)-4-(1,2,2,2-tetrachloroethanesulfonyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Chlorosulfanyl)-4-(1,2,2,2-tetrachloroethanesulfonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.