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2-(benzothiazol-2-yloxy)-N-methyl-N-phenylacetamide

fo-6019fd523ee1244d

Identity

Type
Neutral molecule
CAS
73250-68-7
EC
277-328-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
65 across every transformer

Structure

Structure diagram for 2-(benzothiazol-2-yloxy)-N-methyl-N-phenylacetamide

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

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XIGAUIHYSDTJHW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3
IUPAC name chemrof:IUPAC_name 2-(benzothiazol-2-yloxy)-N-methyl-N-phenylacetamide, 2-(1,3-Benzothiazol-2-yloxy)-N-methylacetanilide
Molecular formula chemrof:molecular_formula C16H14N2O2S
Molecular mass chemrof:molecular_mass 298.367
Monoisotopic mass chemrof:monoisotopic_mass 298.077599, 298.0776
SMILES string chemrof:smiles_string CN(C(=O)COc1nc2ccccc2s1)c1ccccc1

Known URLs

20

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
agr agr:IND90016445 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=73250-68-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34830 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.070.278 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7058173 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1592324 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QI0QTA02DG enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0254408 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J133.202C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14525 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14525 enrich_references.pubchem_identifier_url
pesticides pesticides:mefenacet enrich_references.chebi_xrefs
ppdb ppdb:432 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/91716 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/20537391 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21589451 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22655355 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23597675 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q22808356 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Mefenacet enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
a6af6cd0-ae1a-478e-acbb-f4ff7e6cce23 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
56ec6842-e2d3-484d-8d1f-73dfa16b8947 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
28deda5a-11fc-4ade-8a3f-8b70f55fb8de Environmental → Air → Indoor EF 3.1 kg 2
af6a1cfa-6fa8-4e36-80e6-f92795876b13 Environmental → Air → Long-term EF 3.1 kg 0
8c508852-4ea8-4d00-80d6-7c1f25be336d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c6bc81d6-84db-43fc-be0d-b32f12947568 Environmental → Air → Unknown EF 3.1 kg 2
29461e5c-ad03-4ec5-b85f-fd379026e4a4 Environmental → Ground → Agricultural EF 3.1 kg 2
835e2f41-e801-4560-9ee8-20b73e6ecaca Environmental → Ground → Non-agricultural EF 3.1 kg 2
433d2f06a91c01857ae4aa80be9a138d4adfa2e0 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
eeb289f0-d78d-4833-bf46-171c9408481c Environmental → Ground → Unknown EF 3.1 kg 2
cecb934c-3028-4edd-a702-69b024ef96ee Environmental → Water → Long-term EF 3.1 kg 0
a910787b-39d2-47b1-83a3-80b7a25ad297 Environmental → Water → Ocean EF 3.1 kg 2
2073fc05-cc75-43fc-aac8-72f695e39c50 Environmental → Water → Surface water EF 3.1 kg 2
4928e96c-6042-4eb4-9029-acd784e2ded4 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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}

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