1,3-Diethyl-5-{3-[(Z)-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-2-Cyclohexen-1-Ylidene}-2-Thioxodihydro-4,6(1H,5H)-Pyrimidinedione
[CAS# 54118-09-1]

Identification

• Name: 1,3-Diethyl-5-{3-[(Z)-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-2-Cyclohexen-1-Ylidene}-2-Thioxodihydro-4,6(1H,5H)-Pyrimidinedione
• Synonyms: 1,3-diethyl-5-{3-[(Z)-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]cyclohex-2-en-1-ylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione; 4,6(1H,5H)-Pyrimidinedione, 1,3-diethyl-5-[3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-2-cyclohexen-1-ylidene]dihydro-2-thioxo- (9CI)
• Molecular Formula: C₂₄H₂₇N₃O₂S₂
• Molecular Weight: 453.62
• CAS Registry Number: 54118-09-1
• SMILES: CCN1c2ccccc2SC1=CC3=CC(=C4C(=O)N(C(=S)N(C4=O)CC)CC)CCC3
• InChI: 1S/C24H27N3O2S2/c1-4-25-18-12-7-8-13-19(18)31-20(25)15-16-10-9-11-17(14-16)21-22(28)26(5-2)24(30)27(6-3)23(21)29/h7-8,12-15H,4-6,9-11H2,1-3H3/b20-15-
• InChIKey: WKVZDDZHIOADHB-HKWRFOASSA-N

Properties

• Density: 1.341g/cm³ (Cal.)
• Boiling point: 523.086°C at 760 mmHg (Cal.)
• Flash point: 270.153°C (Cal.)