Thifensulfuron

HCID 178941491CAS 79227-67-1
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccsc2C(=O)O)n1
InChIKey
LOQQVLXUKHKNIA-UHFFFAOYSA-N
Molecular formula
C11H11N5O6S2
Average molar mass
373.4 g/mol

Overview

Thifensulfuron is an 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. It has a role as a herbicide and an agrochemical. It is a member of 1,3,5-triazines, a thiophenecarboxylic acid and a N-sulfonylurea.

Names & identifiers

Preferred name
Thifensulfuron
IUPAC
3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid
English name
THIFENSULFURON
Molecular formula
C11H11N5O6S2
Molecular weight
373.369

Names & synonyms

Thifensulfuron79277-67-1thiameturonThifensulfuron [ISO]thifensulfuron acidUNII-R1O5RY2GKCR1O5RY2GKCDTXSID1058185CHEBI:1320533-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)thiophene-2-carboxylic acid3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid3-(((4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl)sulfamoyl)thiophene-2-carboxylic acid
Show more names
TRYLEAD TL80066813-(4-METHOXY-6-METHYL-1-3,5-TRIAZIN-2-YLCARBAMOYLSULFAMOYL)THIOPHEN-2-CARBOXYLIC ACID
RefChem:189393DTXCID7031953Thifensulfuron (free acid)79227-67-13-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid2-Thiophenecarboxylic acid, 3-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-3-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-2-thiophenecarboxylic acid2-Thiophenecarboxylic acid, 3-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-

Database identifiers

CAS
79227-67-1
ChEBI
CHEBI:132053
UNII
R1O5RY2GKC
EC Number
616-675-5
Nikkaji
J372.961C

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
197 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
5
Heavy atoms
24

Experimental & physicochemical properties

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 29 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Chemistry & industry

Uses & manufacturing

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Additional notes · 1 item

DefinitionChEBI: Thifensulfuron is an 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. It has a role as a herbicide and an agrochemical. It is a N-sulfonylurea, a member of 1,3,5-triazines and a thiophenecarboxylic acid.

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