Dicresulene

Base Information

• Chemical Name: Dicresulene
• CAS No.: 78480-14-5
• Molecular Formula: C15H16 O8 S2
• Molecular Weight: 388.41
• Hs Code.: 2908999090
• European Community (EC) Number: 278-919-3
• UNII: 1I3756I7NG
• DSSTox Substance ID: DTXSID40229112
• Nikkaji Number: J32.866I
• Wikidata: Q27252448
• NCI Thesaurus Code: C76262
• ChEMBL ID: CHEMBL2104684
• Mol file: 78480-14-5.mol

Synonyms:Dicresulene;78480-14-5;Dicresulene [INN];Dicresuleno;Dicresulenum;2-hydroxy-5-[(4-hydroxy-2-methyl-5-sulfophenyl)methyl]-4-methylbenzenesulfonic acid;Dicresulenum [INN-Latin];Dicresuleno [INN-Spanish];UNII-1I3756I7NG;1I3756I7NG;EINECS 278-919-3;5,5'-Methylenebis(2-hydroxy-4-methylbenzenesulfonic acid);3,3'-Methylenebis(6-hydroxy-p-toluenesulfonic acid);3,3'-Methylenebis[6-hydroxy-4-methylbenzenesulfonic acid];SCHEMBL2733372;CHEMBL2104684;DTXSID40229112;AKOS025402479;FT-0655132;Q27252448;5,5'-Methylenebis(2-hydroxy-4-methylbenzenesulfonicacid)

Chemical Property of Dicresulene

Chemical Property:

• PKA: -0.74±0.50(Predicted)
• PSA: 165.96000
• Density: 1.593g/cm³
• LogP: 3.96040
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 388.02865981
• Heavy Atom Count: 25
• Complexity: 605

Purity/Quality:

98%Min ^*data from raw suppliers

DICRESULENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1CC2=CC(=C(C=C2C)O)S(=O)(=O)O)S(=O)(=O)O)O