Molecule ID: 73674

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

Description: The molecule 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 an environmental contaminant, a xenobiotic, a herbicide and an agrochemical. It is a N-sulfonylurea, a member of thiophenes, a member of 1,3,5-triazines and a methyl ester. It derives from a thifensulfuron.

SMILES: COC(=O)c1sccc1S(=O)(=O)N=C(O)N=c1nc(C)nc(OC)[nH]1

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

InChI: InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)

Molecular Properties:
- Polar Surface Area: 186.0 Ų
- LogP: 1.6