1,8-Bis((4-(1,1-dimethylethyl)phenyl)thio)-4,5-bis(phenylthio)anthraquinone

Base Information

• Chemical Name: 1,8-Bis((4-(1,1-dimethylethyl)phenyl)thio)-4,5-bis(phenylthio)anthraquinone
• CAS No.: 84434-36-6
• Molecular Formula: C46H40 O2 S4
• Molecular Weight: 753.0686
• European Community (EC) Number: 282-834-7
• UNII: OVB19N4PWG
• DSSTox Substance ID: DTXSID70233404
• Nikkaji Number: J297.686B
• Wikidata: Q83114912
• Mol file: 84434-36-6.mol

Synonyms:84434-36-6;OVB19N4PWG;1,8-Bis((4-(1,1-dimethylethyl)phenyl)thio)-4,5-bis(phenylthio)anthraquinone;1,8-Bis((4-(tert-butyl)phenyl)thio)-4,5-bis(phenylthio)anthracene-9,10-dione;EINECS 282-834-7;UNII-OVB19N4PWG;DTXSID70233404;HFKWGVOSNHANEH-UHFFFAOYSA-N;NS00038508;9,10-ANTHRACENEDIONE, 1,8-BIS((4-(1,1-DIMETHYLETHYL)PHENYL)THIO)-4,5-BIS(PHENYLTHIO)-

Chemical Property of 1,8-Bis((4-(1,1-dimethylethyl)phenyl)thio)-4,5-bis(phenylthio)anthraquinone

Chemical Property:

• Vapor Pressure: 1.23E-30mmHg at 25°C
• Boiling Point: 869°C at 760 mmHg
• Flash Point: 330.7°C
• PSA: 135.34000
• Density: 1.31g/cm³
• LogP: 13.66180
• XLogP3: 14.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 752.19111521
• Heavy Atom Count: 52
• Complexity: 1090

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)SC2=C3C(=C(C=C2)SC4=CC=CC=C4)C(=O)C5=C(C=CC(=C5C3=O)SC6=CC=C(C=C6)C(C)(C)C)SC7=CC=CC=C7