1,4,5-Tris[[4-(1,1-Dimethylethyl)Phenyl]Thio]-8-(Phenylthio)Anthraquinone
[CAS# 84434-37-7]

Identification

• Name: 1,4,5-Tris[[4-(1,1-Dimethylethyl)Phenyl]Thio]-8-(Phenylthio)Anthraquinone
• Synonyms: 1,4,5-Tris[(4-Tert-Butylphenyl)Sulfanyl]-8-Phenylsulfanyl-Anthracene-9,10-Dione; 1,4,5-Tris[(4-Tert-Butylphenyl)Thio]-8-(Phenylthio)Anthracene-9,10-Dione; 1,4,5-Tris[(4-Tert-Butylphenyl)Thio]-8-(Phenylthio)-9,10-Anthraquinone
• Molecular Formula: C₅₀H₄₈O₂S₄
• Molecular Weight: 809.17
• CAS Registry Number: 84434-37-7
• EINECS: 282-835-2
• SMILES: C6=C(SC1=CC=C(C=C1)C(C)(C)C)C4=C(C(=O)C3=C(SC2=CC=CC=C2)C=CC(=C3C4=O)SC5=CC=C(C=C5)C(C)(C)C)C(=C6)SC7=CC=C(C=C7)C(C)(C)C
• InChI: 1S/C50H48O2S4/c1-48(2,3)31-15-21-35(22-16-31)54-39-28-27-38(53-34-13-11-10-12-14-34)42-43(39)47(52)45-41(56-37-25-19-33(20-26-37)50(7,8)9)30-29-40(44(45)46(42)51)55-36-23-17-32(18-24-36)49(4,5)6/h10-30H,1-9H3
• InChIKey: HGBWYYMBPQTZNS-UHFFFAOYSA-N

Properties

• Density: 1.269g/cm³ (Cal.)
• Boiling point: 892.929°C at 760 mmHg (Cal.)
• Flash point: 332.612°C (Cal.)