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

• ChemBase ID: 311266
• Molecular Formular: C15H10BrNO2S2
• Molecular Mass: 380.2794
• Monoisotopic Mass: 378.93363257
• SMILES: N1(C(=S)S/C(=C\c2oc(cc2)c2ccc(cc2)Br)/C1=O)C
• Canonical SMILES: Brc1ccc(cc1)c1ccc(o1)/C=C/1\SC(=S)N(C1=O)C
• InChI: InChI=1S/C15H10BrNO2S2/c1-17-14(18)13(21-15(17)20)8-11-6-7-12(19-11)9-2-4-10(16)5-3-9/h2-8H,1H3/b13-8-
• InChIKey: LAHHOEUNNUXFEL-JYRVWZFOSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 312926-36-6
• MDL Number: MFCD02211430

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3597302
• LogD (pH = 7.4): 4.3597302
• Log P: 4.3597302
• Molar Refractivity: 94.136 cm^3
• Polarizability: 36.889107 Å^3
• Polar Surface Area: 33.45 Å^2