Molecular Identity
Thifensulfuron methyl
methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate
PubChem CID: 73674
Thifensulfuron-methyl is a methyl ester resulting from the formal condensation of the carboxy group of thifensulfuron with methanol. It is used as a post-emergence herbicide for the control of grass and broad-leaved weeds. It has a role as a herbicide, an agrochemical, a xenobiotic and an environmental contaminant. It is a methyl ester, a member of 1,3,5-triazines, a member of thiophenes and a N-sulfonylurea. It is functionally related to a thifensulfuron.
2D Structure
Properties
C12H13N5O6S2
Molecular Formula
387.40
Molecular Weight
g/mol
387.0307
Exact Mass
Da
1.6
XLogP
Drug-like (Lipinski: < 5)
186
TPSA
May have limited oral absorption
2
H-Bond Donors
10
H-Bond Acceptors
597
Complexity
SMILES
Canonical SMILES
SMILES: CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OCIsomeric SMILES
SMILES: CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OCSynonyms(20)
Thifensulfuron-methyl79277-27-3Thifensulfuron methylThiameturon-methylPinnaclemethyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylateThifensulfuron methyl esterDTXSID1024124INM 63165VFH25ES6FDTXCID804124CHEBI:834532-Thiophenecarboxylic acid, 3-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester2-Thiophenecarboxylic acid, 3-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl estermethyl 3-((4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl)thiophene-2-carboxylate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Thifensulfuron methyl
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