3-Mercapto-3-methylbutyl isovalerate

Base Information

• Chemical Name: 3-Mercapto-3-methylbutyl isovalerate
• CAS No.: 612071-27-9
• Molecular Formula: C10H20O2S
• Molecular Weight: 204.33
• UNII: HJX835LB3C
• DSSTox Substance ID: DTXSID20210129
• Wikidata: Q27279963
• Mol file: 612071-27-9.mol

Synonyms:612071-27-9;3-Mercapto-3-methylbutyl isovalerate;FEMA No. 4584;UNII-HJX835LB3C;HJX835LB3C;Butanoic acid, 3-methyl-, 3-mercapto-3-methylbutyl ester;(3-methyl-3-sulfanylbutyl) 3-methylbutanoate;3-MERCAPTOMETHYLBUTYL ISOVALERATE;SCHEMBL18339269;DTXSID20210129;Q27279963

Chemical Property of 3-Mercapto-3-methylbutyl isovalerate

Chemical Property:

• PSA: 65.10000
• LogP: 2.67420
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 204.11840105
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

97% ^*data from raw suppliers

3-MERCAPTO-3-METHYLBUTYL ISOVALERATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(=O)OCCC(C)(C)S