3-[5-[(4-Methylphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidinyl]propanoic acid ethyl ester
[CAS# 5567-52-2]

Identification

• Name: 3-[5-[(4-Methylphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidinyl]propanoic acid ethyl ester
• Synonyms: Ethyl 3-[5-[(4-Methylphenyl)Methylidene]-4-Oxo-2-Sulfanylidene-1,3-Thiazolidin-3-Yl]Propanoate; Ethyl 3-[5-[(4-Methylphenyl)Methylene]-4-Oxo-2-Thioxo-Thiazolidin-3-Yl]Propanoate; Ethyl 3-[(5Z)-5-[(4-Methylphenyl)Methylene]-4-Oxo-2-Thioxo-Thiazolidin-3-Yl]Propanoate
• Molecular Formula: C₁₆H₁₇NO₃S₂
• Molecular Weight: 335.44
• CAS Registry Number: 5567-52-2
• SMILES: C1=CC(=CC=C1\C=C2\C(N(C(S2)=S)CCC(=O)OCC)=O)C
• InChI: 1S/C16H17NO3S2/c1-3-20-14(18)8-9-17-15(19)13(22-16(17)21)10-12-6-4-11(2)5-7-12/h4-7,10H,3,8-9H2,1-2H3/b13-10-
• InChIKey: WUDKRWKBGKVDAZ-RAXLEYEMSA-N

Properties

• Density: 1.322g/cm³ (Cal.)
• Boiling point: 472.681°C at 760 mmHg (Cal.)
• Flash point: 239.669°C (Cal.)