(5Z)-5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

• ChemBase ID: 310677
• Molecular Formular: C14H8BrNO2S2
• Molecular Mass: 366.25282
• Monoisotopic Mass: 364.9179825
• SMILES: N1C(=S)S/C(=C\c2oc(cc2)c2ccc(cc2)Br)/C1=O
• Canonical SMILES: S=C1S/C(=C\c2ccc(o2)c2ccc(cc2)Br)/C(=O)N1
• InChI: InChI=1S/C14H8BrNO2S2/c15-9-3-1-8(2-4-9)11-6-5-10(18-11)7-12-13(17)16-14(19)20-12/h1-7H,(H,16,17,19)/b12-7-
• InChIKey: MERSOXJRJWZSND-GHXNOFRVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5Z)-5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
• IUPAC Traditional name: (5Z)-5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
• Synonyms: (5Z)-5-{[5-(4-bromophenyl)-2-furyl]methylene}-2-thioxo-1,3-thiazolidin-4-one

Database IDs

• CAS Number: 35274-39-6
• MDL Number: MFCD20502973

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.1315236
• LogD (pH = 7.4): 3.8747509
• Log P: 4.1360545
• Molar Refractivity: 89.2393 cm^3
• Polarizability: 35.05447 Å^3
• Polar Surface Area: 42.24 Å^2