Oxamyl oxime
Basic information
- CAS
30558-43-1- Standard SMILES
CS/C(=N\O)C(=O)N(C)C- InChIKey
KIDWGGCIROEJJW-XQRVVYSFSA-N- Molecular formula
- C5H10N2O2S
- Average molar mass
- 162.21 g/mol
- Monoisotopic mass
- 162.04629874
Overview
Ethanimidothioic acid, 2-(dimethylamino)-n-hydroxy- is a white powder.
Names & identifiers
- Preferred name
- Oxamyl oxime
- IUPAC
- methyl (1Z)-2-(dimethylamino)-N-hydroxy-2-oxoethanimidothioate
- English name
- OxiMino OxaMyl
- Molecular formula
- C5H10N2O2S
- Molecular weight
- 162.21
Names & synonyms
Oximino oxamylOxamyl oxime30558-43-1Methyl 2-(dimethylamino)-N-hydroxy-2-oxoethanimidothioateV2VR7FW48DEINECS 250-239-1BRN 1929813Ethanimidothioic acid, 2-(dimethylamino)-N-hydroxy-2-oxo-, methyl ester2-(hydroxyimino)-N,N-dimethyl-2-(methylsulfanyl)acetamideCHEBI:385422-(dimethylamino)-N-hydroxy-2-oxo-ethanimidothioic acid methyl ester2-(Dimethylamino)-N-hydroxy-2-oxoethanimidothioic acid methyl ester
Show more names
A2213OXAMYL-OXIMEApixaban Impurity 162Oxamyl oxime (Standard)Oxamyl-oxime Solution, 100ppmOxamyl-oxime Solution, 1000ppmOxamyl-oxime 10.0 μg/ml AcetonitrileOxamyl-oxime 10 μg/mL in AcetonitrileLA15780500ALOxamyl-oximE10μg/mLin Acetonitri
Methyl N-Hydroxy-N',N'-dimethyl-1-thiooxamimidateA-2213METHYL N',N'-DIMETHYL-N-HYDROXY-1-THIOOXAMIMIDATEEthanimidothioic acid, 2-(dimethylamino)-N-hydroxy-2-oxo-, methyl ester, (Z)-DTXSID9029350RefChem:857045DTXCID201326724Methyl 2(dimethylamino)Nhydroxy2oxothioimidoacetate
Database identifiers
- CAS
30558-43-1、66344-33-0- PubChem CID
- 6399255
- DTXSID
DTXSID50897361- ChEMBL
CHEMBL1876568- ChEBI
CHEBI:38542- UNII
- V2VR7FW48D
- EC Number
- 250-239-1
- Nikkaji
- J124.907J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 156
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Oximes
Pesticides
Pesticide (Oxamyl oxime) -> USDA PDB
Pesticide degradation product
Physical Description
Ethanimidothioic acid, 2-(dimethylamino)-n-hydroxy- is a white powder.
White solid; [CAMEO]
Physicochemical properties
- Boiling point
- 272.1 · 272.1±23.0 °C(Predicted)
- Density
- 1.213 · 1.213 (estimate)
- refractive index
- 1.643 · 1.6430 (estimate)
- solubility
- Chloroform; Methanol (Slightly)
- form
- Solid
- pka
- 9.39 · 9.39±0.10(Predicted)
- color
- Off-white
- FDA UNII
- 2 VR7FW48D · V2VR7FW48D
- EPA Substance Registry System
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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.)
Hazards SummarySee Diacetylmonoxime and Methyl ethyl ketoxime.
Reactive GroupAmides and Imides
Reactivity Profile
An oxime , carbamate derivative. Carbamates are chemically similar to, but more reactive than amides. Like amides they form polymers such as polyurethane resins. Carbamates are incompatible with strong acids and bases, and especially incompatible with strong reducing agents such as hydrides. Flammable gaseous hydrogen is produced by the combination of active metals or nitrides with carbamates. Strongly oxidizing acids, peroxides, and hydroperoxides are incompatible with carbamates.
Air and Water ReactionsDust is a fire and explosion hazard.
Toxicology
USGS Health-Based Screening Levels for Evaluating Water-Quality
Oxamyl oxime
Pesticide degradation product
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
Safety data
- tsca
- TSCA listed
- Toxicity
- LD50 oral in rat: > 7gm/kg
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanimidothioic acid, 2-(dimethylamino)-N-hydroxy-2-oxo-, methyl ester: ACTIVE
Applications
UsesOximino Oxamyl can be used as a metabolite of Oxamyl in fruits of apple, orange, and tomato. Oxamyl is used as insecticide and acaricide in plants.
General DescriptionWhite powder.
Additional notes
DefinitionChEBI: 2-(hydroxyimino)-N,N-dimethyl-2-(methylsulfanyl)acetamide is an aldoxime.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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