1,4-Diamino-5,8-dihydroxy-2-(phenylthio)anthraquinone

Base Information

• Chemical Name: 1,4-Diamino-5,8-dihydroxy-2-(phenylthio)anthraquinone
• CAS No.: 17727-74-1
• Molecular Formula: C20H14 N2 O4 S
• Molecular Weight: 378.40116
• European Community (EC) Number: 241-722-8
• DSSTox Substance ID: DTXSID40170276
• Nikkaji Number: J287.136J
• Wikidata: Q83040182
• Mol file: 17727-74-1.mol

Synonyms:17727-74-1;1,4-Diamino-5,8-dihydroxy-2-(phenylthio)anthraquinone;EINECS 241-722-8;1,4-diamino-5,8-dihydroxy-2-phenylsulfanylanthracene-9,10-dione;1,4-Diamino-5,8-dihydroxy-2-(phenylthio)anthracene-9,10-dione;DTXSID40170276;1,4-Diamino-5,8-dihydroxy-2-(phenylthio)-9,10-anthracenedione

Chemical Property of 1,4-Diamino-5,8-dihydroxy-2-(phenylthio)anthraquinone

Chemical Property:

• Vapor Pressure: 5.37E-22mmHg at 25°C
• Boiling Point: 729.5°C at 760 mmHg
• Flash Point: 395°C
• PSA: 151.94000
• Density: 1.64g/cm³
• LogP: 4.35120
• XLogP3: 4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 378.06742811
• Heavy Atom Count: 27
• Complexity: 597

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC2=C(C3=C(C(=C2)N)C(=O)C4=C(C=CC(=C4C3=O)O)O)N