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

• ChemBase ID: 311191
• Molecular Formular: C10H8BrNO2S2
• Molecular Mass: 318.21002
• Monoisotopic Mass: 316.9179825
• SMILES: N1(C(=S)S/C(=C\c2oc(cc2)Br)/C1=O)CC
• Canonical SMILES: CCN1C(=O)/C(=C/c2ccc(o2)Br)/SC1=S
• InChI: InChI=1S/C10H8BrNO2S2/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: QJWUMQNCKKFBRE-ALCCZGGFSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 292075-95-7
• MDL Number: MFCD01361759

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8496673
• LogD (pH = 7.4): 2.8496673
• Log P: 2.8496673
• Molar Refractivity: 73.6529 cm^3
• Polarizability: 27.997448 Å^3
• Polar Surface Area: 33.45 Å^2