Consensus flow list

Identity

Type
Molecular complex
CAS
8022-00-2
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Methylmecaptophos

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KPNPDRFFWQBXGT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/2C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3;1-4-12-6-5-9-10(11,7-2)8-3/h2*4-6H2,1-3H3
IUPAC name chemrof:IUPAC_name 1-(dimethoxyphosphorylthio)-2-(ethylthio)ethane;2-(ethylthio)ethoxy-dimethoxy-sulfanylidenephosphorane, 1-(dimethoxyphosphorylthio)-2-(ethylthio)ethane;2-(ethylthio)ethoxy-dimethoxy-thioxo-phosphorane, 1-dimethoxyphosphorylsulfanyl-2-ethylsulfanyl-ethane;2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-lambda5-phosphane, 1-dimethoxyphosphorylsulfanyl-2-ethylsulfanyl-ethane;2-ethylsulfanylethoxy-dimethoxy-thioxo-lambda5-phosphane, 1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane;2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-lambda5-phosphane
Molecular formula chemrof:molecular_formula C12H30O6P2S4
Molecular mass chemrof:molecular_mass 460.582
Monoisotopic mass chemrof:monoisotopic_mass 460.040046
SMILES string chemrof:smiles_string CCSCCOP(=S)(OC)OC.CCSCCSP(=O)(OC)OC

Known URLs

7

Where 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=8022-00-2 enrich_references.consensus_cas_link
cdc.gov https://www.cdc.gov/niosh-rtecs/TG1ADB00.html enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0862 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10925932 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/24692 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3018 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q2543569 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
55ad8c52-a10d-42f9-a16b-dc198feb4779 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
a7498fb2-f739-43d6-b743-9dafa140bf72 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6c0f8a7b-d961-48cf-830d-502b43af5aa8 Environmental → Air → Indoor EF 3.1 kg 2
15d0f785-9c46-4808-8f8f-2ffbe778fca9 Environmental → Air → Long-term EF 3.1 kg 0
4e7a3adf-3c72-4e7f-bac2-b5c0178746d1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d9303845-1197-4684-bc4b-dfa8891f15bf Environmental → Air → Unknown EF 3.1 kg 2
7db6ddea-cadb-4f3b-9618-21135b87973f Environmental → Ground → Agricultural EF 3.1 kg 2
ff8339c0-430a-4db5-ba4c-32c0370c7292 Environmental → Ground → Non-agricultural EF 3.1 kg 2
1c3abeef-df21-4025-959f-9d64e8686983 Environmental → Ground → Unknown EF 3.1 kg 2
70a81429-eafd-4c6d-b0f6-83fadbb42039 Environmental → Water → Long-term EF 3.1 kg 0
e637dbdd-3e98-4f48-9a92-c81512a836a6 Environmental → Water → Ocean EF 3.1 kg 2
b70f3c98-19cc-4200-bfa7-31ac69dfece9 Environmental → Water → Surface water EF 3.1 kg 2
0e64347a-177b-4b16-abd3-a7ef7cea5487 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-c587290fc6623364",
  "prefLabel": [
    {
      "@value": "Methylmecaptophos",
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  ],
  "altLabel": [
    {
      "@value": "Bayer 21/116",
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    },
    {
      "@value": "Demeton M",
      "@language": "en",
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      "@value": "Demeton methyl",
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    },
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      "@value": "Metasystox",
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    {
      "@value": "Methyl demeton",
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      "@value": "Methylmercaptophos",
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      "@value": "Phosphorothioic acid, O-[2-(ethylthio)ethyl] O,O-dimethyl ester, mixt. with S-[2-(ethylthio)ethyl] O,O-dimethyl ester",
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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=8022-00-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=8022-00-2"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/MolecularComplex"
  ]
}

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