(5E)-3-Ethyl-5-{3-[(Z)-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-2-Cyclohexen-1-Ylidene}-2-Thioxo-1,3-Thiazolidin-4-One
[CAS# 54118-07-9]

Identification

• Name: (5E)-3-Ethyl-5-{3-[(Z)-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-2-Cyclohexen-1-Ylidene}-2-Thioxo-1,3-Thiazolidin-4-One
• Synonyms: (5E)-3-ethyl-5-{3-[(Z)-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]cyclohex-2-en-1-ylidene}-2-thioxo-1,3-thiazolidin-4-one; 4-Thiazolidinone, 3-ethyl-5-[3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-2-cyclohexen-1-ylidene]-2-thioxo- (9CI)
• Molecular Formula: C₂₁H₂₂N₂OS₃
• Molecular Weight: 414.61
• CAS Registry Number: 54118-07-9
• SMILES: CCN1c2ccccc2SC1=CC3=CC(=C4C(=O)N(C(=S)S4)CC)CCC3
• InChI: 1S/C21H22N2OS3/c1-3-22-16-10-5-6-11-17(16)26-18(22)13-14-8-7-9-15(12-14)19-20(24)23(4-2)21(25)27-19/h5-6,10-13H,3-4,7-9H2,1-2H3/b18-13-,19-15+
• InChIKey: GNSUAPGTNIFLTB-GCRHKQRVSA-N

Properties

• Density: 1.38g/cm³ (Cal.)
• Boiling point: 490.843°C at 760 mmHg (Cal.)
• Flash point: 250.653°C (Cal.)