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MCPA-thioethyl

fo-d06eaec999bf560c

Identity

Type
Neutral molecule
CAS
25319-90-8
EC
246-831-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
61 across every transformer

Structure

Structure diagram for MCPA-thioethyl

What it is used for

2

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
herbicide CHEBI:24527 A substance used to destroy plant pests. 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

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string AZFKQCNGMSSWDS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H13ClO2S/c1-3-15-11(13)7-14-10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3
IUPAC name chemrof:IUPAC_name S-ethyl (4-chloro-2-methylphenoxy)ethanethioate
Molecular formula chemrof:molecular_formula C11H13ClO2S
Molecular mass chemrof:molecular_mass 244.743
Monoisotopic mass chemrof:monoisotopic_mass 244.032478, 244.03248
SMILES string chemrof:smiles_string CCSC(=O)COc1ccc(Cl)cc1C

Known URLs

12

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=25319-90-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81929 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.042.560 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0042115 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XWH1737181 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0254367 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.876G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18741 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18741 enrich_references.pubchem_identifier_url
ppdb ppdb:1124 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/32876 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27155660 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
2e82e448-c98c-431d-9191-ca4fdc74ee62 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
dff0c5b2-df42-45bb-b337-ded34e008850 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
dce9cddd-2538-4964-b95d-c2ce69ebb0a1 Environmental → Air → Indoor EF 3.1 kg 2
f173819a-c9e8-4581-a108-2d820d5c0f85 Environmental → Air → Long-term EF 3.1 kg 0
1f109f73-9474-42a6-84dc-7399fd76633c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
1fb9e418-5e25-44fa-b2b1-2ec475659d62 Environmental → Air → Unknown EF 3.1 kg 2
cfb248d6-f9ba-4ff8-80c8-a303ad691f9e Environmental → Ground → Agricultural EF 3.1 kg 2
4fbdfa7c-25f1-4474-b10c-7e083d45b3e7 Environmental → Ground → Non-agricultural EF 3.1 kg 2
f4b6eae5c4130a84d6590e60ea5a5383cee33268 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
0ef05d2e-4c07-4bac-9f1b-94c6d7308197 Environmental → Ground → Unknown EF 3.1 kg 2
d48ca8b8-69a1-4543-9c49-4b499b2dfc7f Environmental → Water → Long-term EF 3.1 kg 0
85600562-6137-4737-8370-a9a23857807d Environmental → Water → Ocean EF 3.1 kg 2
3c598c7c-7f7e-49cc-a066-e24501317a05 Environmental → Water → Surface water EF 3.1 kg 2
083e486d-0668-4980-9cdc-01a096d45f06 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (61 changes)

Open the changes page

Full record

Flow object JSON 
{
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    "semantic_typing": {
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    }
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    }
  ]
}

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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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