Methyl phenkapton
TL;DR: Methyl phenkapton (CAS 3735-23-7) is a chemical compound with molecular formula C9H11Cl2O2PS3 and molecular weight 347.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dichlorophenyl)sulfanylmethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: Methyl phenkapton, Methyl phencapton, Caswell No. 362A, Geigy 30494, METHYLPHENKAPTON
| Molecular Formula | C9H11Cl2O2PS3 |
|---|---|
| Molecular Weight | 347.90 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.9036 |
| Heavy Atoms | 17 |
| Complexity | 275.0 |
| Boiling Point | 400 °C @760 [mm Hg] |
| Vapor Pressure | 0.0000035 [mm Hg] @25 °C |
Chemical Identifiers
| CAS Number | 3735-23-7 |
|---|---|
| SMILES | COP(=S)(OC)SCSC1=C(C=CC(=C1)Cl)Cl |
| InChIKey | IHCHKPCNDMQWGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl phenkapton (CAS 3735-23-7), with molecular formula C9H11Cl2O2PS3 and molecular weight 347.90 g/mol. IUPAC: (2,5-dichlorophenyl)sulfanylmethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Methyl phenkapton
Property Insights of Methyl phenkapton
The XLogP value of 5.4 indicates that Methyl phenkapton is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl phenkapton. Following Lipinski's Rule of Five, Methyl phenkapton has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl phenkapton?
The CAS number of Methyl phenkapton is 3735-23-7.
What is the molecular formula of Methyl phenkapton?
The molecular formula of Methyl phenkapton is C9H11Cl2O2PS3.
What is the molecular weight of Methyl phenkapton?
The molecular weight of Methyl phenkapton is 347.90 g/mol.
Where can I buy Methyl phenkapton?
You can request a quote for Methyl phenkapton directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl phenkapton?
Yes, KEHONG BIO provides custom synthesis services for Methyl phenkapton and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.