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CHEBI:132053 - thifensulfuron

ChEBI IDCHEBI:132053
ChEBI Namethifensulfuron
Stars
DefinitionAn N-sulfonylurea in which the sulfur atom is attached to a 2-carboxythiophen-3-yl group and in which the non-sulfonated nitrogen is substituted by a 4-methoxy-6-methyl-1,3,5-triazin-2-yl group. The corresponding methyl ester, known as thifensulfuron-methyl, is used as a post-emergence herbicide for the control of grass and broad-leaved weeds.
Last Modified24 May 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC11H11N5O6S2
Net Charge0
Average Mass373.372
Monoisotopic Mass373.01508
SMILESCOc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccsc2C(=O)O)n1
InChIInChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)
InChIKeyLOQQVLXUKHKNIA-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Applications:
herbicide  A substance used to destroy plant pests.
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
ChEBI Ontology
Outgoing Relation(s)
thifensulfuron (CHEBI:132053) has role agrochemical (CHEBI:33286)
thifensulfuron (CHEBI:132053) has role herbicide (CHEBI:24527)
thifensulfuron (CHEBI:132053) is a N-sulfonylurea (CHEBI:76983)
thifensulfuron (CHEBI:132053) is a 1,3,5-triazines (CHEBI:26588)
thifensulfuron (CHEBI:132053) is a thiophenecarboxylic acid (CHEBI:48436)
Incoming Relation(s)
thifensulfuron-methyl (CHEBI:83453) has functional parent thifensulfuron (CHEBI:132053)
IUPAC Name 
3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid
Synonyms  Source
3-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)thiophene-2-carboxylic acidAlan Wood's Pesticides
thiameturonAlan Wood's Pesticides
thifensulfuron acidChEBI
Manual XrefsDatabases
thifensulfuronAlan Wood's Pesticides
972PPDB
Registry NumbersSources
CAS:79277-67-1Alan Wood's Pesticides
CAS:79277-67-1ChemIDplus
Citations