1,4-Diamino-5,8-Dihydroxy-2-(Phenylthio)Anthraquinone
[CAS# 17727-74-1]

Identification

• Name: 1,4-Diamino-5,8-Dihydroxy-2-(Phenylthio)Anthraquinone
• Synonyms: 1,4-Diamino-5,8-Dihydroxy-2-Phenylsulfanyl-Anthracene-9,10-Dione; 1,4-Diamino-5,8-Dihydroxy-2-(Phenylthio)Anthracene-9,10-Dione; 1,4-Diamino-5,8-Dihydroxy-2-(Phenylthio)-9,10-Anthraquinone
• Molecular Formula: C₂₀H₁₄N₂O₄S
• Molecular Weight: 378.40
• CAS Registry Number: 17727-74-1
• EINECS: 241-722-8
• SMILES: C2=C(SC1=CC=CC=C1)C(=C3C(=C2N)C(=O)C4=C(C3=O)C(=CC=C4O)O)N
• InChI: 1S/C20H14N2O4S/c21-10-8-13(27-9-4-2-1-3-5-9)18(22)17-14(10)19(25)15-11(23)6-7-12(24)16(15)20(17)26/h1-8,23-24H,21-22H2
• InChIKey: PUHVZLBTWPOIFZ-UHFFFAOYSA-N

Properties

• Density: 1.641g/cm³ (Cal.)
• Boiling point: 729.507°C at 760 mmHg (Cal.)
• Flash point: 394.992°C (Cal.)