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CHEBI:45979 - thiabendazole

Default Structure
ChEBI IDCHEBI:45979
ChEBI Namethiabendazole
Stars
DefinitionA member of the class of benzimidazoles carrying a 1,3-thiazol-4-yl substituent at position 2. A mainly post-harvest fungicide used to control a wide range of diseases including Aspergillus, Botrytis, Cladosporium and Fusarium.
Secondary ChEBI IDsCHEBI:9526, CHEBI:45977
Last Modified22 February 2017
DownloadsMolfile
FormulaC10H7N3S
Net Charge0
Average Mass201.254
Monoisotopic Mass201.03607
SMILESc1ccc2nc(-c3cscn3)nc2c1
InChIInChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
InChIKeyWJCNZQLZVWNLKY-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide  A substance used to destroy fungal pests.
Applications:
antinematodal drug  A substance used in the treatment or control of nematode infestations.
anthelminthic drug  Substance intended to kill parasitic worms (helminths).
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
thiabendazole (CHEBI:45979) has parent hydride 1H-benzimidazole (CHEBI:41275)
thiabendazole (CHEBI:45979) has role anthelminthic drug (CHEBI:35443)
thiabendazole (CHEBI:45979) has role antifungal agrochemical (CHEBI:86328)
thiabendazole (CHEBI:45979) has role antinematodal drug (CHEBI:35444)
thiabendazole (CHEBI:45979) is a 1,3-thiazoles (CHEBI:38418)
thiabendazole (CHEBI:45979) is a benzimidazole fungicide (CHEBI:87036)
thiabendazole (CHEBI:45979) is a benzimidazoles (CHEBI:22715)
IUPAC Name 
2-(1,3-thiazol-4-yl)-1H-benzimidazole
Synonyms  Source
2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLEPDBeChem
2-(1,3-thiazol-4-yl)benzimidazoleAlan Wood's Pesticides
2-(4-thiazolyl)-1H-benzimidazoleAlan Wood's Pesticides
2-(thiazol-4-yl)benzimidazoleAlan Wood's Pesticides
4-(2-benzimidazolyl)thiazoleChemIDplus
E233ChEMBL
Brand Names  Source
EquizoleChemIDplus
MintezolKEGG DRUG
ThibenzoleChemIDplus
Manual XrefsDatabases
2621DrugCentral
629VSDB
629PPDB
D00372KEGG DRUG
DB00730DrugBank
HMDB0014868HMDB
LSM-3741LINCS
thiabendazoleAlan Wood's Pesticides
ThiabendazoleWikipedia
THIABENDAZOLEMetaCyc
TMGPDBeChem
US3017415Patent
Registry NumbersSources
Reaxys:611403Reaxys
Beilstein:611403Beilstein
CAS:148-79-8NIST Chemistry WebBook
CAS:148-79-8ChemIDplus
Citations