3-Methyl-3-sulfanylbutanoic acid

Base Information

• Chemical Name: 3-Methyl-3-sulfanylbutanoic acid
• CAS No.: 59729-24-7
• Molecular Formula: C5H10O2S
• Molecular Weight: 134.199
• European Community (EC) Number: 840-278-8
• DSSTox Substance ID: DTXSID00431012
• Nikkaji Number: J631.675A
• Wikidata: Q82244783
• Mol file: 59729-24-7.mol

Synonyms:3-methyl-3-sulfanylbutanoic acid;59729-24-7;Butanoic acid, 3-mercapto-3-methyl-;3-mercapto-3-methylbutanoic acid;3-mercapto-3-methylbutyric acid;SCHEMBL869206;3-methyl-3-sulfanylbutanoicacid;DTXSID00431012;ZBQGMMDOBGOEHH-UHFFFAOYSA-N;MFCD00220445;AKOS006375831;EN300-218482

Chemical Property of 3-Methyl-3-sulfanylbutanoic acid

Chemical Property:

• PSA: 76.10000
• LogP: 1.16950
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 134.04015073
• Heavy Atom Count: 8
• Complexity: 98.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(CC(=O)O)S