alpha-Mercaptostearic acid

Base Information

• Chemical Name: alpha-Mercaptostearic acid
• CAS No.: 600730-11-8
• Molecular Formula: C18H36O2S
• Molecular Weight: 316.54200
• DSSTox Substance ID: DTXSID00415559
• Nikkaji Number: J3.308.692J
• Wikidata: Q82224494
• Metabolomics Workbench ID: 1888

Synonyms:18-mercaptooctadecanoic acid;alpha-Mercaptostearic acid;600730-11-8;Octadecanoic acid, 18-mercapto-;2-mercapto-octadecanoic acid;Octadecanoic acid, 2-mercapto-;18-sulfanyloctadecanoic acid;18-sulanyloctadecanoic acid;SCHEMBL945384;DTXSID00415559;CHEBI:169800;AMY37964;LMFA01130002;BS-48330;F74975

Chemical Property of alpha-Mercaptostearic acid

Chemical Property:

• Boiling Point: 448.1±18.0 °C(Predicted)
• PSA: 76.10000
• Density: 0.946±0.06 g/cm3(Predicted)
• LogP: 6.24240
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 17
• Exact Mass: 316.24360156
• Heavy Atom Count: 21
• Complexity: 219

Purity/Quality:

97% ^*data from raw suppliers

18-Mercaptooctadecanoicacid 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCCCCCC(=O)O)CCCCCCCCS

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