1,3-Dimethyl-5-[6-(Phenylthio)Benz[cd]Indol-2(1H)-Ylidene]Barbituric Acid
[CAS# 58470-74-9]

Identification

• Name: 1,3-Dimethyl-5-[6-(Phenylthio)Benz[cd]Indol-2(1H)-Ylidene]Barbituric Acid
• Molecular Formula: C₂₃H₁₇N₃O₃S
• Molecular Weight: 415.47
• CAS Registry Number: 58470-74-9
• EINECS: 261-270-5
• SMILES: C1=CC=C4C3=C1C(=C2C(N(C(N(C2=O)C)=O)C)=O)NC3=CC=C4SC5=CC=CC=C5
• InChI: 1S/C23H17N3O3S/c1-25-21(27)19(22(28)26(2)23(25)29)20-15-10-6-9-14-17(12-11-16(24-20)18(14)15)30-13-7-4-3-5-8-13/h3-12,24H,1-2H3
• InChIKey: ZKKFUSFTQZGTKV-UHFFFAOYSA-N

Properties

• Density: 1.498g/cm³ (Cal.)
• Boiling point: 594.052°C at 760 mmHg (Cal.)
• Flash point: 313.072°C (Cal.)