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

• ChemBase ID: 311185
• Molecular Formular: C10H8INO2S2
• Molecular Mass: 365.21049
• Monoisotopic Mass: 364.9041185
• SMILES: N1(C(=S)S/C(=C\c2oc(cc2)I)/C1=O)CC
• Canonical SMILES: CCN1C(=O)/C(=C/c2ccc(o2)I)/SC1=S
• InChI: InChI=1S/C10H8INO2S2/c1-2-12-9(13)7(16-10(12)15)5-6-3-4-8(11)14-6/h3-5H,2H2,1H3/b7-5-
• InChIKey: SCVAFGWDLXPFBD-ALCCZGGFSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 330855-07-7
• MDL Number: MFCD01361760

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1415992
• LogD (pH = 7.4): 3.1415992
• Log P: 3.1415992
• Molar Refractivity: 77.9095 cm^3
• Polarizability: 30.377789 Å^3
• Polar Surface Area: 33.45 Å^2