Fluorothion
TL;DR: Fluorothion (CAS 363-97-3) is a chemical compound with molecular formula C9H9F3NO5PS and molecular weight 330.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxy-[4-nitro-3-(trifluoromethyl)phenoxy]-sulfanylidene-λ5-phosphane
Also Known As: Fluorothion, 4-Nitro-3-(trifluoromethyl)phenyl dimethyl phosphorothioate, O,O-Dimethyl O-(4-nitro-3-(trifluoromethyl)phenyl) phosphorothioate, Phosphorothioic acid, O,O-dimethyl O-(4-nitro-3-(trifluoromethyl)phenyl) ester, dimethoxy-[4-nitro-3-(trifluoromethyl)phenoxy]-sulfanylidene-
| Molecular Formula | C9H9F3NO5PS |
|---|---|
| Molecular Weight | 330.99 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.9891 |
| Heavy Atoms | 20 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 363-97-3 |
|---|---|
| SMILES | COP(=S)(OC)OC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F |
| InChIKey | MGNFAYYTCYNTGM-UHFFFAOYSA-N |
Product Overview
Fluorothion (CAS 363-97-3), with molecular formula C9H9F3NO5PS and molecular weight 330.99 g/mol. IUPAC: dimethoxy-[4-nitro-3-(trifluoromethyl)phenoxy]-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Fluorothion
Property Insights of Fluorothion
The XLogP value of 3.8 indicates that Fluorothion is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Fluorothion. Following Lipinski's Rule of Five, Fluorothion has 0 hydrogen bond donor(s) and 9 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 Fluorothion?
The CAS number of Fluorothion is 363-97-3.
What is the molecular formula of Fluorothion?
The molecular formula of Fluorothion is C9H9F3NO5PS.
What is the molecular weight of Fluorothion?
The molecular weight of Fluorothion is 330.99 g/mol.
Where can I buy Fluorothion?
You can request a quote for Fluorothion directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fluorothion?
Yes, KEHONG BIO provides custom synthesis services for Fluorothion and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.