2-{2-[(9-Oxo-9H-thioxanthen-2-YL)oxy]ethoxy}ethane-1-sulfonic acid

Base Information

• Chemical Name: 2-{2-[(9-Oxo-9H-thioxanthen-2-YL)oxy]ethoxy}ethane-1-sulfonic acid
• CAS No.: 86841-03-4
• Molecular Formula: C17H16O6S2
• DSSTox Substance ID: DTXSID30607369
• Wikidata: Q82506374

Synonyms:86841-03-4;SCHEMBL10935315;DTXSID30607369;2-{2-[(9-OXO-9H-THIOXANTHEN-2-YL)OXY]ETHOXY}ETHANE-1-SULFONIC ACID;2-(2-((9-Oxo-9H-thioxanthen-2-yl)oxy)ethoxy)ethanesulfonic acid

Chemical Property of 2-{2-[(9-Oxo-9H-thioxanthen-2-YL)oxy]ethoxy}ethane-1-sulfonic acid

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 380.03883057
• Heavy Atom Count: 25
• Complexity: 558

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)OCCOCCS(=O)(=O)O

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