Methomyl oxime
PubChem CID
92243
Structure
Molecular Formula
Synonyms
- Methomyl oxime
- Methyl N-hydroxyethanimidothioate
- 13749-94-5
- EINECS 237-332-2
- Ethanimidothioic acid, N-hydroxy-, methyl ester
Molecular Weight
105.16 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-18
Chemical Structure Depiction
methyl N-hydroxyethanimidothioate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C3H7NOS/c1-3(4-5)6-2/h5H,1-2H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
TYEVWCPZVQACAE-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC(=NO)SC
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C3H7NOS
Computed by PubChem 2.2 (PubChem release 2021.10.14)
13749-94-5
- methomyl oxime
- methomyl oxime, 1-(14)C-labeled
- Methomyl oxime
- Methyl N-hydroxyethanimidothioate
- 13749-94-5
- EINECS 237-332-2
- Ethanimidothioic acid, N-hydroxy-, methyl ester
- Acetohydroximic acid, thio-, methyl ester
- DTXSID7027754
- Methyl thioacetohydroxamate
- S-Methyl N-Hydroxythioacetimidate
- N-[1-(methylsulfanyl)ethylidene]hydroxylamine
- 1-(methylsulfanyl)acetaldoxime
- Methyl N-hydroxythioimidoacetate
- CHEBI:38534
- DTXCID207754
- SCHEMBL7046853
- TYEVWCPZVQACAE-UHFFFAOYSA-N
- AKOS025243318
- N-Hydroxyethanimidothioic Acid Methyl Ester
- N-hydroxy-ethanimidothioic acid, methyl ester
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
105.16 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
0.9
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
105.02483502 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
105.02483502 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
57.9 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
6
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
61.8
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Environmental transformation -> Pesticide transformation products (metabolite, successor)
S60 | SWISSPEST19 | Swiss Pesticides and Metabolites from Kiefer et al 2019 | DOI:10.5281/zenodo.3544759
Pesticide (Methomyl oxime) -> USDA PDB
Pesticide degradation product
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Methomyl oxime is a known environmental transformation product of Alanycarb.
S60 | SWISSPEST19 | Swiss Pesticides and Metabolites from Kiefer et al 2019 | DOI:10.5281/zenodo.3544759
Environmental transformation -> Pesticide transformation products (metabolite, successor)
S60 | SWISSPEST19 | Swiss Pesticides and Metabolites from Kiefer et al 2019 | DOI:10.5281/zenodo.3544759
EPA TSCA Commercial Activity Status
Ethanimidothioic acid, N-hydroxy-, methyl ester: INACTIVE
The Australian Inventory of Industrial Chemicals
Chemical: Ethanimidothioic acid, N-hydroxy-, methyl ester
Chemical Assessment
Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemical
Methomyl oxime
Chemical Classes
Pesticide degradation product
Reference
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=TYEVWCPZVQACAE-UHFFFAOYSA-N
- Australian Industrial Chemicals Introduction Scheme (AICIS)Ethanimidothioic acid, N-hydroxy-, methyl esterhttps://services.industrialchemicals.gov.au/search-assessments/Ethanimidothioic acid, N-hydroxy-, methyl esterhttps://services.industrialchemicals.gov.au/search-inventory/
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Methomyl oximehttps://commonchemistry.cas.org/detail?cas_rn=13749-94-5
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA Chemicals under the TSCAEthanimidothioic acid, N-hydroxy-, methyl esterhttps://www.epa.gov/chemicals-under-tscaEPA TSCA Classificationhttps://www.epa.gov/tsca-inventory
- EPA DSSToxS-Methyl N-hydroxythioacetimidatehttps://comptox.epa.gov/dashboard/DTXSID7027754CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-noticeMethyl N-hydroxythioimidoacetatehttps://echa.europa.eu/substance-information/-/substanceinfo/100.033.924
- Metabolomics Workbench1-(methylsulfanyl)acetaldoximehttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55894
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- USDA Pesticide Data ProgramMethomyl oximehttps://www.ams.usda.gov/datasets/pdp
- USGS Health-Based Screening Levels for Evaluating Water-Quality DataLICENSEhttps://www.usgs.gov/legalMethomyl oximehttps://water.usgs.gov/water-resources/hbsl/index.html
- Springer Nature
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidata1-(methylsulfanyl)acetaldoximehttps://www.wikidata.org/wiki/Q27117889
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlmethomyl oximehttps://www.ncbi.nlm.nih.gov/mesh/67029844
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388373081https://pubchem.ncbi.nlm.nih.gov/substance/388373081
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