2-[(5-Carboxy-2-benzothiazolyl)thio]butanedioic acid

Base Information

• Chemical Name: 2-[(5-Carboxy-2-benzothiazolyl)thio]butanedioic acid
• CAS No.: 95374-00-8
• Molecular Formula: C12H9NO6S2
• DSSTox Substance ID: DTXSID901220866

Synonyms:2-[(5-Carboxy-2-benzothiazolyl)thio]butanedioic acid;SCHEMBL8972964;DTXSID901220866;95374-00-8

Chemical Property of 2-[(5-Carboxy-2-benzothiazolyl)thio]butanedioic acid

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 326.98712935
• Heavy Atom Count: 21
• Complexity: 446

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C(=O)O)N=C(S2)SC(CC(=O)O)C(=O)O

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