Molecule ID: 121232660

IUPAC Name: 2-isothiocyanatoethyl dihydrogen phosphate

Description: The molecule is a monoalkyl phosphate that is ethyl phosphate in which one of the methyl hydrogens has been replaced by an isothiocyanato group. It is an isothiocyanate and a monoalkyl phosphate. It derives from an ethyl dihydrogen phosphate.

SMILES: O=P(O)(O)OCCN=C=S

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

InChI: InChI=1S/C3H6NO4PS/c5-9(6,7)8-2-1-4-3-10/h1-2H2,(H2,5,6,7)

Molecular Properties:
- Polar Surface Area: 111.0 Ų
- LogP: -0.2