2,4,6-Cycloheptatrien-1-one, 2,2'-thiobis(7-hydroxy-

Base Information

• Chemical Name: 2,4,6-Cycloheptatrien-1-one, 2,2'-thiobis(7-hydroxy-
• CAS No.: 82131-75-7
• Molecular Formula: C14H10O4S
• Molecular Weight: 274.2918
• UNII: BZ8DT6S7HA
• DSSTox Substance ID: DTXSID80231577
• Nikkaji Number: J133.886B
• Wikidata: Q83112518
• Mol file: 82131-75-7.mol

Synonyms:Ditropolonyl sulfide;2,4,6-Cycloheptatrien-1-one, 2,2'-thiobis(7-hydroxy-;BRN 4475351;BZ8DT6S7HA;82131-75-7;UNII-BZ8DT6S7HA;Bis(3-hydroxy-2-oxocycloheptatrien-(3,5,7)-yl)sulfide;DITROPOLONYL SULPHIDE;SCHEMBL16431316;C14H10O4S;DTXSID80231577;C14-H10-O4-S;LS-56210

Chemical Property of 2,4,6-Cycloheptatrien-1-one, 2,2'-thiobis(7-hydroxy-

Chemical Property:

• Boiling Point: 448°Cat760mmHg
• Flash Point: 224.7°C
• PSA: 99.90000
• Density: 1.48g/cm³
• LogP: 1.96940
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 274.02997997
• Heavy Atom Count: 19
• Complexity: 561

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=O)C=C1)O)SC2=C(C(=O)C=CC=C2)O

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