Bismarsen

Base Information

• Chemical Name: Bismarsen
• CAS No.: 12001-47-7
• Molecular Formula: C21H24 As3 Bi2 N3 O12 S3 . 3 Na
• Molecular Weight: 1318.35
• DSSTox Substance ID: DTXSID401035157
• Mol file: 12001-47-7.mol

Synonyms:Bismarsen;Sulfarsphenamine bismuth;Bismuth arsphenamine sulfonate;12001-47-7;Methanesulfonic acid, ((5-(bis(((4-hydroxy-3-((sulfomethyl)amino)phenyl)arsinidene)bismuthino)arsino)-2-hydroxyphenyl)amino)-, trisodium salt;Methanesulfonic acid, [[5-[bis[[[4-hydroxy-3-[(sulfomethyl)amino]phenyl]arsinidene]bismuthino]arsino]-2-hydroxyphenyl]amino]-, trisodium salt;DTXSID401035157;C21H24As3Bi2N3O12S3.3Na;LS-44709;C21-H24-As3-Bi2-N3-O12-S3.3Na

Chemical Property of Bismarsen

Chemical Property:

• PSA: 293.52000
• LogP: 3.08520
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 9
• Exact Mass: 1314.72363
• Heavy Atom Count: 47
• Complexity: 1100

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[As])NCS(=O)(=O)[O-])O.C1=CC(=C(C=C1[As]=[Bi])NCS(=O)(=O)[O-])O.C1=CC(=C(C=C1[As]=[Bi])NCS(=O)(=O)[O-])O.[Na+].[Na+].[Na+]