(5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

• ChemBase ID: 311184
• Molecular Formular: C9H6INO2S2
• Molecular Mass: 351.18391
• Monoisotopic Mass: 350.88846844
• SMILES: N1(C(=S)S/C(=C\c2oc(cc2)I)/C1=O)C
• Canonical SMILES: CN1C(=O)/C(=C/c2ccc(o2)I)/SC1=S
• InChI: InChI=1S/C9H6INO2S2/c1-11-8(12)6(15-9(11)14)4-5-2-3-7(10)13-5/h2-4H,1H3/b6-4-
• InChIKey: BTMHRRFXALZZLQ-XQRVVYSFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
• IUPAC Traditional name: (5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
• Synonyms: (5Z)-5-[(5-iodo-2-furyl)methylene]-3-methyl-2-thioxo-1,3-thiazolidin-4-one

Database IDs

• CAS Number: 329002-53-1
• MDL Number: MFCD01361728

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.791815
• LogD (pH = 7.4): 2.791815
• Log P: 2.791815
• Molar Refractivity: 73.1609 cm^3
• Polarizability: 28.566078 Å^3
• Polar Surface Area: 33.45 Å^2