Benzo(b)thiophene-6-sulfonic acid, 2,3-dihydro-3-oxo-2-((4-sulfophenyl)methylene)-, dipotassium salt

Base Information

• Chemical Name: Benzo(b)thiophene-6-sulfonic acid, 2,3-dihydro-3-oxo-2-((4-sulfophenyl)methylene)-, dipotassium salt
• CAS No.: 68516-62-1
• Molecular Formula: C15H8K2O7S3
• Molecular Weight: 474.6114
• European Community (EC) Number: 271-167-7
• DSSTox Substance ID: DTXSID0071590
• Mol file: 68516-62-1.mol

Synonyms:EINECS 271-167-7;2,3-Dihydro-3-oxo-2-(4-sulfobenzylidene)benzo(b)thiophene-6-sulfonic acid, dipotassium salt;Benzo(b)thiophene-6-sulfonic acid, 2,3-dihydro-3-oxo-2-((4-sulfophenyl)methylene)-, dipotassium salt;Benzo(b)thiophene-6-sulfonic acid, 2,3-dihydro-3-oxo-2-((4-sulfophenyl)methylene)-, potassium salt (1:2);Benzo[b]thiophene-6-sulfonic acid, 2,3-dihydro-3-oxo-2-[(4-sulfophenyl)methylene]-, dipotassium salt;68516-62-1;Dipotassium 2,3-dihydro-3-oxo-2-((4-sulphonatophenyl)methylene)benzo(b)thiophene-6-sulphonate;Dipotassium 2,3-dihydro-3-oxo-2-[(4-sulphonatophenyl)methylene]benzo[b]thiophene-6-sulphonate;DTXSID0071590

Chemical Property of Benzo(b)thiophene-6-sulfonic acid, 2,3-dihydro-3-oxo-2-((4-sulfophenyl)methylene)-, dipotassium salt

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 173.53000
• Density: g/cm³
• LogP: 3.98590
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 473.8706291
• Heavy Atom Count: 27
• Complexity: 738

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=C2C(=O)C3=C(S2)C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+]
• Isomeric SMILES: C1=CC(=CC=C1/C=C/2\C(=O)C3=C(S2)C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+]

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