Isodimethoate
TL;DR: Isodimethoate (CAS 3344-11-4) is a chemical compound with molecular formula C5H12NO3PS2 and molecular weight 229.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[methoxy(methylsulfanyl)phosphoryl]sulfanyl-N-methylacetamide
Also Known As: Isodimethoate, Isodimethoate (Technical Grade), 2-[methoxy(methylsulfanyl)phosphoryl]sulfanyl-N-methylacetamide, Phosphorodithioic acid, O,S-dimethyl ester, S-ester with 2-mercapto-N-methylacetamide, O,S-dimethyl S-(2-(methylamino)-2-oxoethyl) phosphorodithioate
| Molecular Formula | C5H12NO3PS2 |
|---|---|
| Molecular Weight | 229.00 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.99962 |
| Heavy Atoms | 12 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 3344-11-4 |
|---|---|
| SMILES | CNC(=O)CSP(=O)(OC)SC |
| InChIKey | IRZFDJFTOCCEPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isodimethoate (CAS 3344-11-4), with molecular formula C5H12NO3PS2 and molecular weight 229.00 g/mol. IUPAC: 2-[methoxy(methylsulfanyl)phosphoryl]sulfanyl-N-methylacetamide.
Chemical Property Profile of Isodimethoate
Property Insights of Isodimethoate
The XLogP value of -0.3 indicates that Isodimethoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isodimethoate. Following Lipinski's Rule of Five, Isodimethoate has 1 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 Isodimethoate?
The CAS number of Isodimethoate is 3344-11-4.
What is the molecular formula of Isodimethoate?
The molecular formula of Isodimethoate is C5H12NO3PS2.
What is the molecular weight of Isodimethoate?
The molecular weight of Isodimethoate is 229.00 g/mol.
Where can I buy Isodimethoate?
You can request a quote for Isodimethoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isodimethoate?
Yes, KEHONG BIO provides custom synthesis services for Isodimethoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.