Molecule ID: 9577379

IUPAC Name: 1-isothiocyanato-4-[(R)-methylsulfinyl]butane

Description: The molecule is a sulforaphane in which the sulfinyl group has R configuration. Naturally occurring compound found in brocolli that acts as a potent inducer of phase II detoxification enzymes. It is an enantiomer of a (S)-sulforaphane.

SMILES: C[S@@](=O)CCCCN=C=S

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

InChI: InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3/t10-/m1/s1

Molecular Properties:
- Polar Surface Area: 80.7 Ų
- LogP: 1.4