3-Cyclohexyl-5-[4-(3-Ethylbenzothiazol-2(3H)-Ylidene)-1-Methylbut-2-Enylidene]-2-Thioxothiazolidin-4-One
[CAS# 85049-99-6]

Identification

• Name: 3-Cyclohexyl-5-[4-(3-Ethylbenzothiazol-2(3H)-Ylidene)-1-Methylbut-2-Enylidene]-2-Thioxothiazolidin-4-One
• Synonyms: (5Z)-3-Cyclohexyl-5-[(E,4E)-4-(3-Ethyl-1,3-Benzothiazol-2-Ylidene)-1-Methyl-But-2-Enylidene]-2-Thioxo-Thiazolidin-4-One; (5Z)-3-Cyclohexyl-5-[(E,4E)-4-(3-Ethyl-1,3-Benzothiazol-2-Ylidene)-1-Methylbut-2-Enylidene]-2-Thioxo-4-Thiazolidinone; 3-Cyclohexyl-5-(4-(3-Ethylbenzothiazol-2(3H)-Ylidene)-1-Methylbut-2-Enylidene)-2-Thioxothiazolidin-4-One
• Molecular Formula: C₂₃H₂₆N₂OS₃
• Molecular Weight: 442.65
• CAS Registry Number: 85049-99-6
• EINECS: 285-273-6
• SMILES: C1=CC=CC2=C1N(\C(S2)=C/C=C/C(=C/3SC(=S)N(C3=O)C4CCCCC4)C)CC
• InChI: 1S/C23H26N2OS3/c1-3-24-18-13-7-8-14-19(18)28-20(24)15-9-10-16(2)21-22(26)25(23(27)29-21)17-11-5-4-6-12-17/h7-10,13-15,17H,3-6,11-12H2,1-2H3/b10-9+,20-15+,21-16-
• InChIKey: PSKSUZATVUPWJN-LBZUCXTCSA-N

Properties

• Density: 1.327g/cm³ (Cal.)
• Boiling point: 522.509°C at 760 mmHg (Cal.)
• Flash point: 269.804°C (Cal.)