(2-Nitroaniline-N-Ethyldithio)-2-(Pyridyl-5-Thioureido-N'-(5-Fluorescein))
[CAS# 101613-93-8]

Identification

• Name: (2-Nitroaniline-N-Ethyldithio)-2-(Pyridyl-5-Thioureido-N'-(5-Fluorescein))
• Synonyms: 1-(3',6'-Dihydroxy-3-Oxo-Spiro[Isobenzofuran-1,9'-Xanthene]-5-Yl)-3-[6-[2-[(2-Nitrophenyl)Amino]Ethyldisulfanyl]-3-Pyridyl]Thiourea; 1-(3',6'-Dihydroxy-3-Oxo-5-Spiro[Isobenzofuran-1,9'-Xanthene]Yl)-3-[6-[2-[(2-Nitrophenyl)Amino]Ethyldisulfanyl]-3-Pyridyl]Thiourea; 1-(3',6'-Dihydroxy-3-Keto-Spiro[Isobenzofuran-1,9'-Xanthene]-5-Yl)-3-[6-[2-[(2-Nitrophenyl)Amino]Ethyldisulfanyl]-3-Pyridyl]Thiourea
• Molecular Formula: C₃₄H₂₅N₅O₇S₃
• Molecular Weight: 711.78
• CAS Registry Number: 101613-93-8
• SMILES: C1=CC(=CC2=C1C4(OC2=O)C3=CC=C(O)C=C3OC5=C4C=CC(=C5)O)NC(=S)NC7=CC=C(SSCCNC6=CC=CC=C6[N+]([O-])=O)N=C7
• InChI: 1S/C34H25N5O7S3/c40-21-7-10-25-29(16-21)45-30-17-22(41)8-11-26(30)34(25)24-9-5-19(15-23(24)32(42)46-34)37-33(47)38-20-6-12-31(36-18-20)49-48-14-13-35-27-3-1-2-4-28(27)39(43)44/h1-12,15-18,35,40-41H,13-14H2,(H2,37,38,47)
• InChIKey: XMQFXPPYEQWBIO-UHFFFAOYSA-N

Properties

• Density: 1.656g/cm³ (Cal.)
• Boiling point: 956.143°C at 760 mmHg (Cal.)
• Flash point: 532.056°C (Cal.)