1,2,3,4,5-Pentachloro-6-(ethanesulfinyl)benzene
TL;DR: 1,2,3,4,5-Pentachloro-6-(ethanesulfinyl)benzene (CAS 77876-29-0) is a chemical compound with molecular formula C8H5Cl5OS and molecular weight 323.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5-pentachloro-6-ethylsulfinylbenzene
Also Known As: 1,2,3,4,5-pentachloro-6-ethylsulfinylbenzene, 1,2,3,4,5-Pentachloro-6-(ethanesulfinyl)benzene
| Molecular Formula | C8H5Cl5OS |
|---|---|
| Molecular Weight | 323.85 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.85037 |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 77876-29-0 |
|---|---|
| SMILES | CCS(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl |
| InChIKey | MWPCQURWMQHOBA-UHFFFAOYSA-N |
Product Overview
1,2,3,4,5-Pentachloro-6-(ethanesulfinyl)benzene (CAS 77876-29-0), with molecular formula C8H5Cl5OS and molecular weight 323.85 g/mol. IUPAC: 1,2,3,4,5-pentachloro-6-ethylsulfinylbenzene.
Chemical Property Profile of 1,2,3,4,5-Pentachloro-6-(ethanesulfinyl)benzene
Property Insights of 1,2,3,4,5-Pentachloro-6-(ethanesulfinyl)benzene
The XLogP value of 4.5 indicates that 1,2,3,4,5-Pentachloro-6-(ethanesulfinyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.3 Ų, 1,2,3,4,5-Pentachloro-6-(ethanesulfinyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,5-Pentachloro-6-(ethanesulfinyl)benzene 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 1,2,3,4,5-Pentachloro-6-(ethanesulfinyl)benzene?
The CAS number of 1,2,3,4,5-Pentachloro-6-(ethanesulfinyl)benzene is 77876-29-0.
What is the molecular formula of 1,2,3,4,5-Pentachloro-6-(ethanesulfinyl)benzene?
The molecular formula of 1,2,3,4,5-Pentachloro-6-(ethanesulfinyl)benzene is C8H5Cl5OS.
What is the molecular weight of 1,2,3,4,5-Pentachloro-6-(ethanesulfinyl)benzene?
The molecular weight of 1,2,3,4,5-Pentachloro-6-(ethanesulfinyl)benzene is 323.85 g/mol.
Where can I buy 1,2,3,4,5-Pentachloro-6-(ethanesulfinyl)benzene?
You can request a quote for 1,2,3,4,5-Pentachloro-6-(ethanesulfinyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,5-Pentachloro-6-(ethanesulfinyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,5-Pentachloro-6-(ethanesulfinyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.