Propan-2-yl (4-chlorophenyl)sulfonylmethanedithioate
TL;DR: Propan-2-yl (4-chlorophenyl)sulfonylmethanedithioate (CAS 53271-56-0) is a chemical compound with molecular formula C10H11ClO2S3 and molecular weight 293.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl (4-chlorophenyl)sulfonylmethanedithioate
Also Known As: 2-Methoxy-benzoesaeure-p-tolylester, propan-2-yl (4-chlorophenyl)sulfonylmethanedithioate, (4-chlorophenyl)sulfonyl-propan-2-ylsulfanyl-methanethione, (4-Chlorobenzene-1-sulfonyl)[(propan-2-yl)sulfanyl]methanethione
| Molecular Formula | C10H11ClO2S3 |
|---|---|
| Molecular Weight | 293.96 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.96097 |
| Heavy Atoms | 16 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 53271-56-0 |
|---|---|
| SMILES | CC(C)SC(=S)S(=O)(=O)C1=CC=C(C=C1)Cl |
| InChIKey | PRSQLGKPPDYTTR-UHFFFAOYSA-N |
Product Overview
Propan-2-yl (4-chlorophenyl)sulfonylmethanedithioate (CAS 53271-56-0), with molecular formula C10H11ClO2S3 and molecular weight 293.96 g/mol. IUPAC: propan-2-yl (4-chlorophenyl)sulfonylmethanedithioate.
Chemical Property Profile of Propan-2-yl (4-chlorophenyl)sulfonylmethanedithioate
Property Insights of Propan-2-yl (4-chlorophenyl)sulfonylmethanedithioate
The XLogP value of 3.9 indicates that Propan-2-yl (4-chlorophenyl)sulfonylmethanedithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl (4-chlorophenyl)sulfonylmethanedithioate. Following Lipinski's Rule of Five, Propan-2-yl (4-chlorophenyl)sulfonylmethanedithioate has 0 hydrogen bond donor(s) and 4 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 Propan-2-yl (4-chlorophenyl)sulfonylmethanedithioate?
The CAS number of Propan-2-yl (4-chlorophenyl)sulfonylmethanedithioate is 53271-56-0.
What is the molecular formula of Propan-2-yl (4-chlorophenyl)sulfonylmethanedithioate?
The molecular formula of Propan-2-yl (4-chlorophenyl)sulfonylmethanedithioate is C10H11ClO2S3.
What is the molecular weight of Propan-2-yl (4-chlorophenyl)sulfonylmethanedithioate?
The molecular weight of Propan-2-yl (4-chlorophenyl)sulfonylmethanedithioate is 293.96 g/mol.
Where can I buy Propan-2-yl (4-chlorophenyl)sulfonylmethanedithioate?
You can request a quote for Propan-2-yl (4-chlorophenyl)sulfonylmethanedithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl (4-chlorophenyl)sulfonylmethanedithioate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl (4-chlorophenyl)sulfonylmethanedithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.