Methyl trithion
TL;DR: Methyl trithion (CAS 953-17-3) is a chemical compound with molecular formula C9H12ClO2PS3 and molecular weight 313.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)sulfanylmethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: METHYL TRITHION, Trithion-methyl, Methyl Carbophenothion, Carbophenothion-methyl, Tri-Me
| Molecular Formula | C9H12ClO2PS3 |
|---|---|
| Molecular Weight | 313.94 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.94257 |
| Heavy Atoms | 16 |
| Complexity | 239.0 |
| Solubility | SOL IN MOST ORG SOLVENTS |
| Vapor Pressure | 0.0000267 [mmHg] |
Chemical Identifiers
| CAS Number | 953-17-3 |
|---|---|
| SMILES | COP(=S)(OC)SCSC1=CC=C(C=C1)Cl |
| InChIKey | OUCCVXVYGFBXSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl trithion (CAS 953-17-3), with molecular formula C9H12ClO2PS3 and molecular weight 313.94 g/mol. IUPAC: (4-chlorophenyl)sulfanylmethylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Methyl trithion
Property Insights of Methyl trithion
The XLogP value of 4.8 indicates that Methyl trithion 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 trithion. Following Lipinski's Rule of Five, Methyl trithion has 0 hydrogen bond donor(s) and 5 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 Methyl trithion?
The CAS number of Methyl trithion is 953-17-3.
What is the molecular formula of Methyl trithion?
The molecular formula of Methyl trithion is C9H12ClO2PS3.
What is the molecular weight of Methyl trithion?
The molecular weight of Methyl trithion is 313.94 g/mol.
Where can I buy Methyl trithion?
You can request a quote for Methyl trithion directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl trithion?
Yes, KEHONG BIO provides custom synthesis services for Methyl trithion and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.