2-(Octylsulfanyl)butanedioic acid

Base Information

• Chemical Name: 2-(Octylsulfanyl)butanedioic acid
• CAS No.: 6188-77-8
• Molecular Formula: C12H22O4S
• DSSTox Substance ID: DTXSID40546896

Synonyms:6188-77-8;2-(OCTYLSULFANYL)BUTANEDIOIC ACID;SCHEMBL11044722;DTXSID40546896

Chemical Property of 2-(Octylsulfanyl)butanedioic acid

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 262.12388035
• Heavy Atom Count: 17
• Complexity: 231

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCSC(CC(=O)O)C(=O)O

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