EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:81736 - pyributicarb

ChEBI IDCHEBI:81736
ChEBI Namepyributicarb
Stars
DefinitionA monothiocarbamic ester that is carbamic acid in which the oxygen of the oxo group is replaced by sulfur, the hydrogens attached to the nitrogen are replaced by methyl and 6-methoxypyridin-2-yl groups, and the hydrogen of the hydroxy group is replaced by a p-tert-butylphenyl group. It has fungicidal and herbicidal activity and is used in paddy rice and turf production.
Last Modified7 July 2015
DownloadsMolfile
FormulaC18H22N2O2S
Net Charge0
Average Mass330.453
Monoisotopic Mass330.14020
SMILESCOc1cccc(N(C)C(=S)Oc2cccc(C(C)(C)C)c2)n1
InChIInChI=1S/C18H22N2O2S/c1-18(2,3)13-8-6-9-14(12-13)22-17(23)20(4)15-10-7-11-16(19-15)21-5/h6-12H,1-5H3
InChIKeyVTRWMTJQBQJKQH-UHFFFAOYSA-N
Roles Classification
Biological Roles:
sterol biosynthesis inhibitor  Any compound that inhibits the biosynthesis of any sterol.
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
Applications:
herbicide  A substance used to destroy plant pests.
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
ChEBI Ontology
Outgoing Relation(s)
pyributicarb (CHEBI:81736) has role antifungal agrochemical (CHEBI:86328)
pyributicarb (CHEBI:81736) has role herbicide (CHEBI:24527)
pyributicarb (CHEBI:81736) has role sterol biosynthesis inhibitor (CHEBI:83317)
pyributicarb (CHEBI:81736) is a aromatic ether (CHEBI:35618)
pyributicarb (CHEBI:81736) is a monothiocarbamic ester (CHEBI:38128)
pyributicarb (CHEBI:81736) is a pyridines (CHEBI:26421)
IUPAC Name 
O-(3-tert-butylphenyl) (6-methoxypyridin-2-yl)methylcarbamothioate
Synonyms  Source
TSH-888ChemIDplus
O-3-tert-butylphenyl 6-methoxy-2-pyridyl(methyl)thiocarbamateAlan Wood's Pesticides
O-[3-(1,1-dimethylethyl)phenyl] N-(6-methoxy-2-pyridinyl)-N-methylcarbamothioateAlan Wood's Pesticides
pyributicarbeChEBI
Manual XrefsDatabases
C18422KEGG COMPOUND
pyributicarbAlan Wood's Pesticides
Registry NumbersSources
Reaxys:11343509Reaxys
CAS:88678-67-5KEGG COMPOUND
Citations