Benzene, 1,2,4,5-tetrachloro-3-(methylsulfinyl)-
TL;DR: Benzene, 1,2,4,5-tetrachloro-3-(methylsulfinyl)- (CAS 107409-52-9) is a chemical compound with molecular formula C8H4Cl4OS and molecular weight 287.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2,3,5,6-tetrachlorophenyl) ethanethioate
Also Known As: Benzene, 1,2,4,5-tetrachloro-3-(methylsulfinyl)-, S-(2,3,5,6-tetrachlorophenyl) ethanethioate, 1-(2,3,5,6-tetrachlorophenyl)sulfanylethanone
| Molecular Formula | C8H4Cl4OS |
|---|---|
| Molecular Weight | 287.87 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.87076 |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 107409-52-9 |
|---|---|
| SMILES | CC(=O)SC1=C(C(=CC(=C1Cl)Cl)Cl)Cl |
| InChIKey | VTIXXPMUKJQKAL-UHFFFAOYSA-N |
Product Overview
Benzene, 1,2,4,5-tetrachloro-3-(methylsulfinyl)- (CAS 107409-52-9), with molecular formula C8H4Cl4OS and molecular weight 287.87 g/mol. IUPAC: S-(2,3,5,6-tetrachlorophenyl) ethanethioate.
Chemical Property Profile of Benzene, 1,2,4,5-tetrachloro-3-(methylsulfinyl)-
Property Insights of Benzene, 1,2,4,5-tetrachloro-3-(methylsulfinyl)-
The XLogP value of 4.7 indicates that Benzene, 1,2,4,5-tetrachloro-3-(methylsulfinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, Benzene, 1,2,4,5-tetrachloro-3-(methylsulfinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,2,4,5-tetrachloro-3-(methylsulfinyl)- 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 Benzene, 1,2,4,5-tetrachloro-3-(methylsulfinyl)-?
The CAS number of Benzene, 1,2,4,5-tetrachloro-3-(methylsulfinyl)- is 107409-52-9.
What is the molecular formula of Benzene, 1,2,4,5-tetrachloro-3-(methylsulfinyl)-?
The molecular formula of Benzene, 1,2,4,5-tetrachloro-3-(methylsulfinyl)- is C8H4Cl4OS.
What is the molecular weight of Benzene, 1,2,4,5-tetrachloro-3-(methylsulfinyl)-?
The molecular weight of Benzene, 1,2,4,5-tetrachloro-3-(methylsulfinyl)- is 287.87 g/mol.
Where can I buy Benzene, 1,2,4,5-tetrachloro-3-(methylsulfinyl)-?
You can request a quote for Benzene, 1,2,4,5-tetrachloro-3-(methylsulfinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,2,4,5-tetrachloro-3-(methylsulfinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,2,4,5-tetrachloro-3-(methylsulfinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.