Phosphonodithioic acid, ethyl-, S-(p-chlorophenyl) O-isobutyl ester
TL;DR: Phosphonodithioic acid, ethyl-, S-(p-chlorophenyl) O-isobutyl ester (CAS 24838-84-4) is a chemical compound with molecular formula C12H18ClOPS2 and molecular weight 308.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)sulfanyl-ethyl-(2-methylpropoxy)-sulfanylidene-λ5-phosphane
Also Known As: AI3-27632, R-15792, S-(p-Chlorophenyl) O-isobutyl ethanephosphonodithioate, s-(4-chlorophenyl) o-isobutylethylphosphonodithioate, Phosphonodithioic acid, ethyl-, S-(p-chlorophenyl) O-isobutyl ester
| Molecular Formula | C12H18ClOPS2 |
|---|---|
| Molecular Weight | 308.02 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 308.02252 |
| Heavy Atoms | 17 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 24838-84-4 |
|---|---|
| SMILES | CCP(=S)(OCC(C)C)SC1=CC=C(C=C1)Cl |
| InChIKey | XBAXKOFIBNFGRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphonodithioic acid, ethyl-, S-(p-chlorophenyl) O-isobutyl ester (CAS 24838-84-4), with molecular formula C12H18ClOPS2 and molecular weight 308.02 g/mol. IUPAC: (4-chlorophenyl)sulfanyl-ethyl-(2-methylpropoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphonodithioic acid, ethyl-, S-(p-chlorophenyl) O-isobutyl ester
Property Insights of Phosphonodithioic acid, ethyl-, S-(p-chlorophenyl) O-isobutyl ester
The XLogP value of 5.5 indicates that Phosphonodithioic acid, ethyl-, S-(p-chlorophenyl) O-isobutyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonodithioic acid, ethyl-, S-(p-chlorophenyl) O-isobutyl ester. Following Lipinski's Rule of Five, Phosphonodithioic acid, ethyl-, S-(p-chlorophenyl) O-isobutyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphonodithioic acid, ethyl-, S-(p-chlorophenyl) O-isobutyl ester?
The CAS number of Phosphonodithioic acid, ethyl-, S-(p-chlorophenyl) O-isobutyl ester is 24838-84-4.
What is the molecular formula of Phosphonodithioic acid, ethyl-, S-(p-chlorophenyl) O-isobutyl ester?
The molecular formula of Phosphonodithioic acid, ethyl-, S-(p-chlorophenyl) O-isobutyl ester is C12H18ClOPS2.
What is the molecular weight of Phosphonodithioic acid, ethyl-, S-(p-chlorophenyl) O-isobutyl ester?
The molecular weight of Phosphonodithioic acid, ethyl-, S-(p-chlorophenyl) O-isobutyl ester is 308.02 g/mol.
Where can I buy Phosphonodithioic acid, ethyl-, S-(p-chlorophenyl) O-isobutyl ester?
You can request a quote for Phosphonodithioic acid, ethyl-, S-(p-chlorophenyl) O-isobutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonodithioic acid, ethyl-, S-(p-chlorophenyl) O-isobutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonodithioic acid, ethyl-, S-(p-chlorophenyl) O-isobutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.