S-(4-Chlorophenyl) O,O-dimethyl phosphorodithioate
TL;DR: S-(4-Chlorophenyl) O,O-dimethyl phosphorodithioate (CAS 5114-31-8) is a chemical compound with molecular formula C8H10ClO2PS2 and molecular weight 267.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)sulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: Bayer 42524, BAY 42524, ENT 25,685, S-(4-Chlorophenyl) O,O-dimethyl phosphorodithioate, AI3-25685
| Molecular Formula | C8H10ClO2PS2 |
|---|---|
| Molecular Weight | 267.95 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.95483 |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 5114-31-8 |
|---|---|
| SMILES | COP(=S)(OC)SC1=CC=C(C=C1)Cl |
| InChIKey | YLLXJRPQKHRNHV-UHFFFAOYSA-N |
Product Overview
S-(4-Chlorophenyl) O,O-dimethyl phosphorodithioate (CAS 5114-31-8), with molecular formula C8H10ClO2PS2 and molecular weight 267.95 g/mol. IUPAC: (4-chlorophenyl)sulfanyl-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of S-(4-Chlorophenyl) O,O-dimethyl phosphorodithioate
Property Insights of S-(4-Chlorophenyl) O,O-dimethyl phosphorodithioate
The XLogP value of 3.8 indicates that S-(4-Chlorophenyl) O,O-dimethyl phosphorodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(4-Chlorophenyl) O,O-dimethyl phosphorodithioate. Following Lipinski's Rule of Five, S-(4-Chlorophenyl) O,O-dimethyl phosphorodithioate 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 S-(4-Chlorophenyl) O,O-dimethyl phosphorodithioate?
The CAS number of S-(4-Chlorophenyl) O,O-dimethyl phosphorodithioate is 5114-31-8.
What is the molecular formula of S-(4-Chlorophenyl) O,O-dimethyl phosphorodithioate?
The molecular formula of S-(4-Chlorophenyl) O,O-dimethyl phosphorodithioate is C8H10ClO2PS2.
What is the molecular weight of S-(4-Chlorophenyl) O,O-dimethyl phosphorodithioate?
The molecular weight of S-(4-Chlorophenyl) O,O-dimethyl phosphorodithioate is 267.95 g/mol.
Where can I buy S-(4-Chlorophenyl) O,O-dimethyl phosphorodithioate?
You can request a quote for S-(4-Chlorophenyl) O,O-dimethyl phosphorodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-Chlorophenyl) O,O-dimethyl phosphorodithioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-Chlorophenyl) O,O-dimethyl phosphorodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.