Molecule ID: 10171321

IUPAC Name: 1,2,3-benzothiadiazole-7-carbothioic S-acid

Description: The molecule is a benzothiadiazole that is 1,2,3-benzothiadiazole in which the hydrogen at position 7 is replaced by a sulfanylcarbonyl group. It is used (particularly as its S-methyl thioester) as a fungicide and plant activator. It has a role as a plant activator and an antifungal agrochemical.

SMILES: O=C(S)c1cccc2nnsc12

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

InChI: InChI=1S/C7H4N2OS2/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11)

Molecular Properties:
- Polar Surface Area: 72.1 Ų
- LogP: 1.9