乐果
TL;DR: 乐果 (CAS 60-51-5) 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.
乐果
2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide
Also Known As: dimethoate, Phosphamide, Rogor, Perfekthion, Roxion
| Molecular Formula | C5H12NO3PS2 |
|---|---|
| Molecular Weight | 229.00 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.99962 |
| Heavy Atoms | 12 |
| Complexity | 191.0 |
| Melting Point | 51.7 °C 113 to 47.2 °C for technical product. |
| Boiling Point | 117.2 °C at 0.1 mmHg |
| Density | 1.277 at 65.0 °C |
| Solubility | 1 to 10 mg/mL at 75 °F (NTP, 1992) |
| Flash Point | 51.1 °C |
| Vapor Pressure | 8.5e-06 mmHg at 25.0 °C |
| Refractive Index | 1.5334 at 65 °C |
Chemical Identifiers
| CAS Number | 60-51-5 |
|---|---|
| SMILES | CNC(=O)CSP(=S)(OC)OC |
| InChIKey | MCWXGJITAZMZEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乐果 (CAS 60-51-5), with molecular formula C5H12NO3PS2 and molecular weight 229.00 g/mol. IUPAC: 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide.
Chemical Property Profile of 乐果
Property Insights of 乐果
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乐果. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 乐果. Following Lipinski's Rule of Five, 乐果 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 乐果?
The CAS number of 乐果 is 60-51-5.
What is the molecular formula of 乐果?
The molecular formula of 乐果 is C5H12NO3PS2.
What is the molecular weight of 乐果?
The molecular weight of 乐果 is 229.00 g/mol.
Where can I buy 乐果?
You can request a quote for 乐果 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乐果?
Yes, KEHONG BIO provides custom synthesis services for 乐果 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.