Molecule ID: 91729

IUPAC Name: 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid

Description: The molecule 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.

SMILES: COc1nc(C)nc(=NC(O)=NS(=O)(=O)c2ccsc2C(=O)O)[nH]1

SELFIES: [C][O][C][=N][C][Branch1][C][C][=N][C][=Branch2][Ring1][#Branch2][=N][C][Branch1][C][O][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][O][NH1][Ring2][Ring1][=Branch1]

InChI: InChI=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)

Molecular Properties:
- Polar Surface Area: 197.0 Ų
- LogP: 1.2