5-[6,8-Bis(phenylsulfanyl)benzo[cd]indol-2(1H)-ylidene]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
[CAS# 80019-21-2]

Identification

• Name: 5-[6,8-Bis(phenylsulfanyl)benzo[cd]indol-2(1H)-ylidene]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
• Synonyms: 5-[6,8-bis(phenylthio)benz[cd]indol-2(1H)-ylidene]-1,3-dimethyl-1H,3H,5H-pyrimidine-2,4,6-trione
• Molecular Formula: C₂₉H₂₁N₃O₃S₂
• Molecular Weight: 523.63
• CAS Registry Number: 80019-21-2
• EINECS: 279-366-0
• SMILES: O=C6N(C)C(=O)N(C)C(=O)C6=C1Nc4c2c(cccc12)c(cc4Sc3ccccc3)Sc5ccccc5
• InChI: 1S/C29H21N3O3S2/c1-31-27(33)24(28(34)32(2)29(31)35)25-20-15-9-14-19-21(36-17-10-5-3-6-11-17)16-22(26(30-25)23(19)20)37-18-12-7-4-8-13-18/h3-16,30H,1-2H3
• InChIKey: BUIYJYMIHORACN-UHFFFAOYSA-N

Properties

• Density: 1.5g/cm³ (Cal.)
• Boiling point: 684.083°C at 760 mmHg (Cal.)
• Flash point: 367.52°C (Cal.)