Molecule ID: 9839500

IUPAC Name: (Z)-3-(4-iodophenyl)-2-sulfanylprop-2-enoic acid

Description: The molecule is an organoiodine compound that is acrylic acid in which the vinylic hydrogens at positions 2 and 3 are replaced by mercapto and 4-iodophenyl groups respectively (the Z geoisomer). It has a role as a calpain inhibitor and an apoptosis inhibitor. It is an organoiodine compound, a member of cinnamic acids and a thioenol. It derives from a trans-cinnamic acid.

SMILES: O=C(O)/C(S)=C/c1ccc(I)cc1

SELFIES: [O][=C][Branch1][C][O][/C][Branch1][C][S][=C][/C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C9H7IO2S/c10-7-3-1-6(2-4-7)5-8(13)9(11)12/h1-5,13H,(H,11,12)/b8-5-

Molecular Properties:
- Polar Surface Area: 38.3 Ų
- LogP: 2.9