Cas no 59729-24-7 (3-methyl-3-sulfanylbutanoic acid)

3-Methyl-3-sulfanylbutanoic acid is a sulfur-containing carboxylic acid with the molecular formula C5H10O2S. Its key structural features include a thiol group (–SH) and a carboxyl group (–COOH) attached to a branched carbon chain, making it a versatile intermediate in organic synthesis. The compound is particularly valued for its role in the production of flavor and fragrance compounds, where its sulfur moiety contributes to unique organoleptic properties. Additionally, its reactive functional groups allow for further derivatization, enabling applications in pharmaceuticals and agrochemicals. The compound’s stability and compatibility with various reaction conditions enhance its utility in industrial and research settings.
3-methyl-3-sulfanylbutanoic acid structure
59729-24-7 structure
Product Name:3-methyl-3-sulfanylbutanoic acid
CAS No:59729-24-7
MF:C5H10O2S
MW:134.196700572968
MDL:MFCD00220445
CID:337474
PubChem ID:9812786
Update Time:2025-05-28

3-methyl-3-sulfanylbutanoic acid Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid, 3-mercapto-3-methyl-
    • 3-mercapto-3-methylbutanoic acid
    • 3-methyl-3-sulfanylbutanoic acid
    • AKOS006375831
    • 59729-24-7
    • 3-methyl-3-sulfanylbutanoicacid
    • ZBQGMMDOBGOEHH-UHFFFAOYSA-N
    • DTXSID00431012
    • 3-mercapto-3-methylbutyric acid
    • EN300-218482
    • MFCD00220445
    • SCHEMBL869206
    • MDL： MFCD00220445
    • Inchi： 1S/C5H10O2S/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7)
    • InChI Key： ZBQGMMDOBGOEHH-UHFFFAOYSA-N
    • SMILES： SC(C)(C)CC(=O)O

Computed Properties

  • Exact Mass: 134.0402
  • Monoisotopic Mass: 134.04015073g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 98.6
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.6
  • Topological Polar Surface Area: 38.3?2

Experimental Properties

  • PSA: 37.3

3-methyl-3-sulfanylbutanoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
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 59729-24-7 95%
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Enamine
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Enamine
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Enamine
EN300-218482-5.0g
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