6-((Methylsulfonyl)thio)hexanoic acid

Base Information

• Chemical Name: 6-((Methylsulfonyl)thio)hexanoic acid
• CAS No.: 76078-72-3
• Molecular Formula: C7H14O4S2
• Molecular Weight: 226.31400
• DSSTox Substance ID: DTXSID40600503
• Wikidata: Q82496615
• Mol file: 76078-72-3.mol

Synonyms:76078-72-3;6-((methylsulfonyl)thio)hexanoic acid;6-[(Methylsulfonyl)thio]hexanoic Acid;6-methylsulfonylsulfanylhexanoic acid;Hexanoic acid, 6-[(methylsulfonyl)thio]-;6-(METHANESULFONYLSULFANYL)HEXANOIC ACID;6-[(Methanesulfonyl)sulfanyl]hexanoic acid;SCHEMBL10495218;DTXSID40600503;6-((methylsulfonyl)thio)hexanoicacid;MFCD18379550;AKOS030255548;AS-64595;DB-296424;CS-0322483;W13495

Chemical Property of 6-((Methylsulfonyl)thio)hexanoic acid

Chemical Property:

• PSA: 105.12000
• LogP: 2.40500
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 226.03335127
• Heavy Atom Count: 13
• Complexity: 240

Purity/Quality:

97% ^*data from raw suppliers

6-[(Methylsulfonyl)thio]hexanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)SCCCCCC(=O)O
• Uses: Methanethiosulfonate derivative.

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