Demephion-O
Basic information
- CAS
682-80-4- Standard SMILES
COP(=S)(OC)OCCSC- InChIKey
IATBEFPCSHFQJS-UHFFFAOYSA-N- Molecular formula
- C5H13O3PS2
- Average molar mass
- 216.3 g/mol
- Monoisotopic mass
- 216.00437362
Overview
Demephion-O is an organic thiophosphate.
Names & identifiers
- Preferred name
- Demephion-O
- IUPAC
- dimethoxy-(2-methylsulfanylethoxy)-sulfanylidene-λ5-phosphane
- English name
- demephion-O
- Molecular formula
- C5H13O3PS2
- Molecular weight
- 216.26
Names & synonyms
Demephion-O682-80-4Demephion-O [ISO:BSI]Caswell No. 369UNII-0O09494G0UEINECS 211-666-9DEMEPHION-O [ISO]0O09494G0UEPA Pesticide Chemical Code 369100DTXSID7041837O,O-Dimethyl O-(2-(methylthio)ethyl) phosphorothioatePhosphorothioic acid, O,O-dimethyl O-(2-(methylthio)ethyl) ester
Show more names
Thiophosphoric acid O,O-dimethyl O-[2-(methylthio)ethyl] esterPhosphorothioic acid, O,O-dimethyl O-[2-(methylthio)ethyl] esterdemephion-O (ISO) O,O-dimethyl O-2-methylthioethyl phosphorothioate
RefChem:131714DTXCID5021837211-666-9dimethoxy-(2-methylsulfanylethoxy)-sulfanylidene-lambda5-phosphaneSCHEMBL117709CHEBI:82114IATBEFPCSHFQJS-UHFFFAOYSA-NNS00005773
Database identifiers
- CAS
682-80-4- PubChem CID
- 115123
- DTXSID
DTXSID7041837- ChEBI
CHEBI:82114- UNII
- 0O09494G0U
- EC Number
- 211-666-9
- Nikkaji
- J205.990H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Boiling point
- 115 °C · 115 °C(Press: 2 Torr)
- Density
- 1.227 · 1.227±0.06 g/cm3(Predicted)
- EWG's Food Scores
- 1 · 1-2
- FDA UNII
- 0 O09494G0U · 0O09494G0U
- EPA Substance Registry System
- Demephion-O (682-80-4)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300-H311
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501
- Hazard Codes
- T+
- Risk Statements
- 24 · 24-28
- Safety Statements
- 28 · 28-36/37-45
- RIDADR
- 3018 · 3018
- HazardClass
- 6.1 · 6.1(a)
- PackingGroup
- II
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
Hazard Classes and Categories
Acute toxicity (ingestion) - category 2
Acute Tox. 2 *
Safety data
- ridadr
- 3018
- risk_code
- 24-28
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T+
- safety_code
- 28-36/37-45
- hazard_class
- 6.1(a)
- packing_group
- II
- Hazard statements
- H300-H311
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501
Chemistry & industry
Applications
DescriptionDemephion-O is an obsolete insecticide. Other than having a moderate aqueous solubility, very little data is available regarding its environmental fate or ecotoxicology. Demephion-O is an acetylcholinesterase inhibitor and a neurotoxin.
Additional notes
DefinitionChEBI: Demephion-O is an organic thiophosphate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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