Oxydemeton-methyl
fo-96c5170379536f72
Identity
- Type
- Neutral molecule
- CAS
- 301-12-2
- EC
- 206-110-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 60 across every transformer
Structure
What it is used for
4
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| acaricide CHEBI:22153 | A substance used to destroy pests of the subclass Acari (mites and ticks). | ChEBI |
| agrochemical CHEBI:33286 | An agrochemical is a substance that is used in agriculture or horticulture. | ChEBI |
| insecticide CHEBI:24852 | Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. | ChEBI |
| pesticide CHEBI:25944 | Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. | ChEBI |
Alternative labels
21- Demeton-S methyl sulfoxide
- Demeton-s-methyl Sulfoxide
- Ethanethiol, 2-(ethylsulfinyl)-, S-ester with O,O-dimethyl phosphorothioate
- Metaisosystox sulfoxide
- Metasystox R
- Metasystox-R
- Methyl oxydemeton S
- Methylmercaptophos oxide
- MSR
- MSR (pesticide)
- MSR Spray Concentrate
- O,O-Dimethyl S-[2-(ethylsulfinyl)ethyl] monothiophosphate
- O,O-Dimethyl S-[2-(ethylsulfinyl)ethyl] phosphorothioate
- O,O-Dimethyl S-[2-(ethylsulfinyl)ethyl] thiophosphate
- Oxydemeton M
- Oxydemeton methyl
- Phosphorothioic acid, S-(2-(ethylsulfinyl)ethyl) O,O-dimethyl ester
- Phosphorothioic acid, S-[2-(ethylsulfinyl)ethyl] O,O-dimethyl ester
- S-[2-(ethanesulfinyl)ethyl] O,O-dimethyl phosphorothioate
- S-[2-(Ethylsulfinyl)ethyl] O,O-dimethyl phosphorothioate
- S-[2-(ethylsulfinyl)ethyl] O,O-dimethyl thiophosphate
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | PMCVMORKVPSKHZ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | Phosphorothioic acid, S-(2-(ethylsulfinyl)ethyl) O,O-dimethyl ester |
| Molecular formula chemrof:molecular_formula | C6H15O4PS2 |
| Molecular mass chemrof:molecular_mass | 246.29 |
| Monoisotopic mass chemrof:monoisotopic_mass | 246.014938, 246.01494 |
| SMILES string chemrof:smiles_string | CCS(=O)CCSP(=O)(OC)OC |
Known URLs
18Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=301-12-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38735 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.005.556 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8025541 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=370785 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1315891 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/E2031449YZ | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0256011 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.515F | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18664 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18664 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55990 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:501 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/4618 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2784 | enrich_references.pubchem_identifier_url |
| reaxys | reaxys:1711268 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q2042881 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Oxydemeton-methyl | enrich_references.chebi_xrefs |
Elementary flows
16| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 041ff93d-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-ac3d-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| f9aa2807-5b24-4bc8-ad0d-1a383e02bf32 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-ac3c-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-ac3e-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-92ae-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-92ac-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-ac42-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| a666d2c10dc2a85c7a851368574012940c75c424 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-92ad-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| fe0acd60-3ddc-11dd-ac40-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| fe0acd60-3ddc-11dd-ac43-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 94da9b0b01bfce2aa5afb62679a3e0b054fc5d93 | Environmental → Water → River | agribalyse algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-ac3f-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| a48db4540ea18d1d4bb028443a16c3b399f4472b | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| fe0acd60-3ddc-11dd-ac41-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (60 changes)
Full record
Flow object JSON
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works