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Thiofanox

fo-d922ff4a50f5a7ad

Identity

Type
Neutral molecule
CAS
39196-18-4
EC
254-346-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
65 across every transformer

Structure

Structure diagram for Thiofanox

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

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FZSVSABTBYGOQH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12)
IUPAC name chemrof:IUPAC_name 1-(2,2-Dimethyl-1-methylthiomethylpropylideneamino-oxy)-N-methylformamide
Molecular formula chemrof:molecular_formula C9H18N2O2S
Molecular mass chemrof:molecular_mass 218.322
Monoisotopic mass chemrof:monoisotopic_mass 218.108899, 218.1089
SMILES string chemrof:smiles_string CNC(=O)ON=C(CSC)C(C)(C)C

Known URLs

5

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
beilstein beilstein:2329756 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=39196-18-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38549 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C18652 enrich_references.chebi_xrefs
ppdb ppdb:638 enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
db295e2f-a31f-4113-bbf1-eaf004d1be1a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
a026ac4d-c244-403a-b0b5-fa82ad59ebb7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
aca5b725-8b1f-479b-972e-b042cb3fe14a Environmental → Air → Indoor EF 3.1 kg 2
4cf70f90-7421-45c8-aad1-651359a3e0e9 Environmental → Air → Long-term EF 3.1 kg 0
2e46a5b5-847d-46a1-a987-ce429a4e3f3c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
97b24aa1-e82e-4e0c-b099-25baf4db06ac Environmental → Air → Unknown EF 3.1 kg 2
79cf8440-eb1e-4c2b-9b96-38c12a0bad04 Environmental → Ground → Agricultural EF 3.1 kg 2
34101c94-69ab-41dd-aa2b-f00215d33865 Environmental → Ground → Non-agricultural EF 3.1 kg 2
9f85409cc372e2914a53f9dd3fd90ee2c33fcd99 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
04054826-2cee-43c0-a2bf-80d3f5db04f1 Environmental → Ground → Unknown EF 3.1 kg 2
8a653c35-9d75-486d-b7dc-b238558b3f7d Environmental → Water → Long-term EF 3.1 kg 0
44bdfcee-2c29-4532-9cf3-6f0440c47219 Environmental → Water → Ocean EF 3.1 kg 2
724ddf0d-503c-4a49-9356-f1d9e5e9438a Environmental → Water → Surface water EF 3.1 kg 2
12c29a44-a043-4611-9cd4-309489b58226 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (65 changes)

Open the changes page

Full record

Flow object JSON 
{
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          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_24852",
      "rdfs:label": "insecticide",
      "http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill members of the class <em>Insecta</em>.  In common usage, any substance used for preventing, destroying, repelling or controlling insects.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
      "rdfs:label": "pesticide",
      "http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

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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

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