CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless to yellow oily liquid; [HSDB] |
|---|---|
| Color/Form | Colorless liquid |
| Odor | Mercaptan-like odor |
| Boiling Point | Decomposes at about 135 °C |
| Melting Point | Solidifies at -28 °C |
| Solubility | Readily soluble in alcohols, acetone, and many hydrocarbons. Slightly soluble in diethyl ether. Almost insoluble in petroleum ether. |
| Density | Specific gravity: 1.32 |
| Vapor Pressure | 0.0000248 [mmHg] |
| LogP | log Kow = -0.74 at 20 °C |
| Stability/Shelf Life | Hydrolyzed in alkaline media; relatively slowly hydrolyzed in acidic media. |
| Decomposition | When heated to decomposition it emits very toxic fumes of /nitrogen oxides, phosphorous oxides, and sulfur oxides/. |
| Corrosivity | Non-corrosive |
| Refractive Index | Index of Refraction: 1.4987 at 20 °C/D |
| Collision Cross Section | 134.62 Ų [M+H]+ [CCS Type: TW] |
| Kovats Retention Index | 1588 1603 1628 1630 1600.4 1594.8 1602.3 1638 1582.6 1622.2 |
| Chemical Classes | Pesticides -> Organophosphate Insecticides |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Environment GHS09 |
| GHS Hazard Statements |
H300:Acute toxicity,oral H311:Acute toxicity,dermal H400:Hazardous to the aquatic environment, acute hazard |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 213.19 g/mol |
|---|---|
| XLogP3 | -0.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 213.02246604 g/mol |
| Monoisotopic Mass | 213.02246604 g/mol |
| Topological Polar Surface Area | 89.9 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 190 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Omethoate is an organic thiophosphate and an organothiophosphate insecticide. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an acaricide and an agrochemical. It is functionally related to a N-methyl-2-sulfanylacetamide.