Molecule ID: 93362

IUPAC Name: [4-(methylcarbamoylsulfanyl)phenyl] methanesulfonate

Description: The molecule is a monothiocarbamic ester that is phenyl methanesulfonate in which the hydrogen at position 4 is replaced by a (methylcarbamoyl)sulfanediyl group. It is a fungicide used for the treatment of a range of fungal diseases in rice. It is a monothiocarbamic ester and a methanesulfonate ester.

SMILES: CN=C(O)Sc1ccc(OS(C)(=O)=O)cc1

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

InChI: InChI=1S/C9H11NO4S2/c1-10-9(11)15-8-5-3-7(4-6-8)14-16(2,12)13/h3-6H,1-2H3,(H,10,11)

Molecular Properties:
- Polar Surface Area: 106.0 Ų
- LogP: 1.6