Molecule ID: 21307

IUPAC Name: 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide

Description: The molecule is an anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid. A fungicide for control of bunts and smuts normally that is normally used as a seed treatment. It has a role as an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor and an antifungal agrochemical. It is an anilide, an enamide, an oxacycle, an organosulfur heterocyclic compound, an anilide fungicide and a secondary carboxamide.

SMILES: CC1=C(C(O)=Nc2ccccc2)SCCO1

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

InChI: InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 2.1