Molecule ID: 1702

IUPAC Name: 4-(2-aminophenyl)sulfanylbutylphosphonic acid

Description: The molecule is a phosphonic acid having a 4-[(2-aminophenyl)thio]butyl attached to the phosphorus; reported to have herbicidal properties. It has a role as a herbicide and an EC 4.2.1.20 (tryptophan synthase) inhibitor. It is a member of phosphonic acids, an organic sulfide and a substituted aniline.

SMILES: Nc1ccccc1SCCCCP(=O)(O)O

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

InChI: InChI=1S/C10H16NO3PS/c11-9-5-1-2-6-10(9)16-8-4-3-7-15(12,13)14/h1-2,5-6H,3-4,7-8,11H2,(H2,12,13,14)

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: 0.6