Basic information
- CAS
2587-90-8- Standard SMILES
COP(=O)(OC)SCCSC- InChIKey
PSTWJANBJOHFQJ-UHFFFAOYSA-N- Molecular formula
- C5H13O3PS2
- Average molar mass
- 216.3 g/mol
- Monoisotopic mass
- 216.00437362
Overview
Phosphorothioic acid, o,o-dimethyl s-(2-(methylthio) ethyl) ester appears as a straw-colored liquid. Used as a systemic insecticide and acaricide effective against sucking insects. (EPA, 1998)
Names & identifiers
- Preferred name
- Demephion-S
- IUPAC
- 1-dimethoxyphosphorylsulfanyl-2-methylsulfanylethane
- English name
- demephion-S
- Molecular formula
- C5H13O3PS2
- Molecular weight
- 216.26
Names & synonyms
Demephion-S2587-90-8Caswell No. 369ADemephion-S [ISO:BSI]EINECS 219-971-9EPA Pesticide Chemical Code 369200BRN 1707090UNII-2678KW974NO,O-Dimethyl S-(2-(methylthio)ethyl) phosphorothioateDEMEPHION-S [ISO]2678KW974NPhosphorothioic acid, O,O-dimethyl S-(2-(methylthio)ethyl) ester
Show more names
Isotinox[2-(dimethoxyphosphorylthio)ethylthio]methane1-dimethoxyphosphorylsulfanyl-2-methylsulfanylethane1-dimethoxyphosphorylsulfanyl-2-methylsulfanyl-ethaneThiophosphoric acid O,O-dimethyl S-(2-methylthioethyl) esterThiophosphoric acid O,O-dimethyl S-[2-(methylthio)ethyl] esterPhosphorothioic acid, O,O-dimethyl S-[2-(methylthio)ethyl] esterdemephion-S (ISO) O,O-dimethyl S-2-methylthioethyl phosphorothioate
DTXSID20418384-01-00-02460 (Beilstein Handbook Reference)IsonitoxPhosphorothioic acid,RefChem:131715DTXCID0021838PHOSPHOROTHIOIC ACID, O,O-DIMETHYL S-(2-(METHYLTHIO) ETHYL) ESTER219-971-9
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 134
Experimental & physicochemical properties
Density
1.218 at 77 °F (EPA, 1998) - Denser than water; will sink
1.207 @ 20°C
Boiling Point
149 °F at 0.1 mmHg decomposes (EPA, 1998)
230 °C @760 [mm Hg]
Physical DescriptionPhosphorothioic acid, o,o-dimethyl s-(2-(methylthio) ethyl) ester appears as a straw-colored liquid. Used as a systemic insecticide and acaricide effective against sucking insects. (EPA, 1998)
Physicochemical properties
- Boiling point
- 270.3 · 270.3±42.0 °C(Predicted)
- Density
- 1.207 · 1.2070
- EWG's Food Scores
- 1 · 1-2
- FDA UNII
- 2678 KW974N · 2678KW974N
- EPA Substance Registry System
- Demephion-S (2587-90-8)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300: Fatal if swallowed [Danger Acute toxicity, oral]
P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)
Danger
H300: Fatal if swallowed [Danger Acute toxicity, oral]
P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelClass 9
Fire Hazards
(Non-Specific -- Organophosphorus pesticide, liquid, n.o.s.) This material may burn but does not ignite readily. Container may explode in heat of fire. Fire may produce irritating or poisonous gases. Runoff from fire control water may give off poisonous gases. (EPA, 1998)
Health Hazards
(Non-specific -- Organophosphorus pesticide, liquid) May be fatal if inhaled, swallowed or absorbed through the skin. Contact may cause burns to skin and eyes. (Non-specific -- Organophosphate insecticide) May cause respiratory failure. (EPA, 1998)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
PHOSPHOROTHIOIC ACID, O,O-DIMETHYL S-(2-(METHYLTHIO) ETHYL) ESTER, like other thiophosphate esters, may react with strong reducing agents such as hydrides to give highly toxic and flammable phosphine gas. Partial oxidation by oxidizing agents may result in the release of toxic phosphorus oxides.
Chemistry & industry
Applications
DescriptionDemephion-S is an obsolete insecticide. Other than having a high aqueous solubility, very little data is available regarding its environmental fate or ecotoxicology. Demephion-S is an acetylcholinesterase inhibitor and a neurotoxin.
General DescriptionA straw-colored liquid. Used as a systemic insecticide and acaricide effective against sucking insects.
Suppliers3 total
南通合润生物科技有限公司18362409333 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Additional notes
DefinitionChEBI: Demephion-S is an organothiophosphorus compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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