Molecule ID: 91587

IUPAC Name: 3-prop-2-enoxy-1,2-benzothiazole 1,1-dioxide

Description: The molecule is a member of the class of 1,2-benzothiazoles that is 1,2-benzothiazole 1,1-dioxide substituted at position 3 by an allyloxy group. A fungicide used to control rice blast. It has a role as a plant activator and an antifungal agrochemical. It is a 1,2-benzisothiazole, an aromatic ether, a sulfone and a benzothiazole fungicide. It derives from a saccharin.

SMILES: C=CCOC1=NS(=O)(=O)c2ccccc21

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

InChI: InChI=1S/C10H9NO3S/c1-2-7-14-10-8-5-3-4-6-9(8)15(12,13)11-10/h2-6H,1,7H2

Molecular Properties:
- Polar Surface Area: 64.099 Ų
- LogP: 1.4