Dimethoate
TL;DR: Dimethoate (CAS 60-51-5) is a chemical compound with molecular formula C5H12NO3PS2 and molecular weight 228.99962 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide
Also Known As: dimethoate, Phosphamide, Rogor, Perfekthion, Roxion
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H12NO3PS2 |
| Molecular Weight | 228.99962 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.99962 Da |
| Heavy Atoms | 12 |
| Complexity | 191.0 |
| Melting Point | 125 °F 113 to 117 °F for technical product. (EPA, 1998) |
| Boiling Point | 243 °F at 0.1 mmHg (NTP, 1992) |
| Density | 1.277 at 149 °F (EPA, 1998) - Denser than water; will sink |
| Flash Point | 124 °F (EPA, 1998) |
| Vapor Pressure | 8.5e-06 mmHg at 77 °F (EPA, 1998) |
| Refractive Index | Index of refraction: 1.5334 at 65 °C/D |
| Solubility | 1 to 10 mg/mL at 75 °F (NTP, 1992) |
| SMILES | CNC(=O)CSP(=S)(OC)OC |
| InChIKey | MCWXGJITAZMZEV-UHFFFAOYSA-N |
Product Description
Applications: Dimethoate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Dimethoate (CAS 60-51-5) is a heterocyclic building block with the molecular formula C5H12NO3PS2 and a molecular weight of 229 g/mol. Key physical properties include a density of 1.277 at 149 °F (EPA, 1998) - Denser than water; will sink g/cm³, a solubility: 1 to 10 mg/mL at 75 °F (NTP, 1992). Synonyms include dimethoate and Phosphamide.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Dimethoate
Property Insights of Dimethoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethoate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethoate. Following Lipinski's Rule of Five, Dimethoate 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
What is the CAS number of Dimethoate?
The CAS number of Dimethoate is 60-51-5.
What is the molecular formula of Dimethoate?
The molecular formula of Dimethoate is C5H12NO3PS2.
What is the molecular weight of Dimethoate?
The molecular weight of Dimethoate is 228.99962 g/mol.
What are the applications of Dimethoate?
Dimethoate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy Dimethoate?
You can request a quote for Dimethoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethoate?
Yes, CoreyChem provides custom synthesis services for Dimethoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.