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

• ChemBase ID: 311174
• Molecular Formular: C15H10BrNO2S2
• Molecular Mass: 380.2794
• Monoisotopic Mass: 378.93363257
• SMILES: N1(C(=S)S/C(=C\c2oc(cc2)Br)/C1=O)Cc1ccccc1
• Canonical SMILES: Brc1ccc(o1)/C=C/1\SC(=S)N(C1=O)Cc1ccccc1
• InChI: InChI=1S/C15H10BrNO2S2/c16-13-7-6-11(19-13)8-12-14(18)17(15(20)21-12)9-10-4-2-1-3-5-10/h1-8H,9H2/b12-8-
• InChIKey: KTPRLFBKAXPEGL-WQLSENKSSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 63618-71-3
• MDL Number: MFCD01361886

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.2173324
• LogD (pH = 7.4): 4.2173324
• Log P: 4.2173324
• Molar Refractivity: 93.5169 cm^3
• Polarizability: 35.656513 Å^3
• Polar Surface Area: 33.45 Å^2