Phosphonodithioic acid, chloromethyl-, O-isopropyl S-(p-tolyl) ester
TL;DR: Phosphonodithioic acid, chloromethyl-, O-isopropyl S-(p-tolyl) ester (CAS 5114-37-4) is a chemical compound with molecular formula C11H16ClOPS2 and molecular weight 294.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl-(4-methylphenyl)sulfanyl-propan-2-yloxy-sulfanylidene-λ5-phosphane
Also Known As: Stauffer B-10119, phosphonodithioicacidO-isopropylS- ester, AI3-25834, B 10119, Chloromethylphosphonodithioic acid O-isopropyl S-(p-tolyl) ester
| Molecular Formula | C11H16ClOPS2 |
|---|---|
| Molecular Weight | 294.01 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.00687 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 5114-37-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SP(=S)(CCl)OC(C)C |
| InChIKey | BFPLZFFHPDTDIC-UHFFFAOYSA-N |
Product Overview
Phosphonodithioic acid, chloromethyl-, O-isopropyl S-(p-tolyl) ester (CAS 5114-37-4), with molecular formula C11H16ClOPS2 and molecular weight 294.01 g/mol. IUPAC: chloromethyl-(4-methylphenyl)sulfanyl-propan-2-yloxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphonodithioic acid, chloromethyl-, O-isopropyl S-(p-tolyl) ester
Property Insights of Phosphonodithioic acid, chloromethyl-, O-isopropyl S-(p-tolyl) ester
The XLogP value of 5.0 indicates that Phosphonodithioic acid, chloromethyl-, O-isopropyl S-(p-tolyl) 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, chloromethyl-, O-isopropyl S-(p-tolyl) ester. Following Lipinski's Rule of Five, Phosphonodithioic acid, chloromethyl-, O-isopropyl S-(p-tolyl) ester 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 Phosphonodithioic acid, chloromethyl-, O-isopropyl S-(p-tolyl) ester?
The CAS number of Phosphonodithioic acid, chloromethyl-, O-isopropyl S-(p-tolyl) ester is 5114-37-4.
What is the molecular formula of Phosphonodithioic acid, chloromethyl-, O-isopropyl S-(p-tolyl) ester?
The molecular formula of Phosphonodithioic acid, chloromethyl-, O-isopropyl S-(p-tolyl) ester is C11H16ClOPS2.
What is the molecular weight of Phosphonodithioic acid, chloromethyl-, O-isopropyl S-(p-tolyl) ester?
The molecular weight of Phosphonodithioic acid, chloromethyl-, O-isopropyl S-(p-tolyl) ester is 294.01 g/mol.
Where can I buy Phosphonodithioic acid, chloromethyl-, O-isopropyl S-(p-tolyl) ester?
You can request a quote for Phosphonodithioic acid, chloromethyl-, O-isopropyl S-(p-tolyl) 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, chloromethyl-, O-isopropyl S-(p-tolyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonodithioic acid, chloromethyl-, O-isopropyl S-(p-tolyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.