Cas no 16630-65-2 (3-(methylsulfanyl)butanoic acid)

3-(Methylsulfanyl)butanoic acid is a sulfur-containing carboxylic acid with the molecular formula C5H10O2S. This compound features a methylthio (-SCH3) group at the β-position relative to the carboxyl functionality, imparting unique reactivity and potential applications in organic synthesis and flavor chemistry. Its structure allows for versatile transformations, including nucleophilic substitutions and condensations, making it useful as an intermediate in pharmaceuticals, agrochemicals, and fragrance formulations. The methylthio moiety enhances its utility in thiol-based reactions, while the carboxylic acid group provides a handle for further derivatization. The compound's stability under standard conditions ensures ease of handling in laboratory and industrial settings.
3-(methylsulfanyl)butanoic acid structure
16630-65-2 structure
Product Name:3-(methylsulfanyl)butanoic acid
CAS No:16630-65-2
MF:C5H10O2S
MW:134.196700572968
CID:180143
PubChem ID:86043
Update Time:2025-06-08

3-(methylsulfanyl)butanoic acid Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,3-(methylthio)-
    • 3-(methylthio)butyric acid
    • 3-(methylsulfanyl)butanoic acid
    • Einecs 240-682-9
    • 3-(Methylthio)butanoic acid
    • Butanoic acid, 3-(methylthio)-
    • Inchi： 1S/C5H10O2S/c1-4(8-2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
    • InChI Key： QWAKSOMWGWIYQP-UHFFFAOYSA-N
    • SMILES： C(O)(=O)CC(SC)C

Computed Properties

  • Exact Mass: 134.0402
  • Monoisotopic Mass: 134.04
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 82.5
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0

Experimental Properties

  • Density: 1.117
  • Boiling Point: 244.9°C at 760 mmHg
  • Flash Point: 101.9°C
  • Refractive Index: 1.49
  • PSA: 37.3

3-(methylsulfanyl)butanoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-118918-50mg
3-(methylsulfanyl)butanoic acid
 16630-65-2 95.0%
50mg
 $88.0 2023-10-03
Enamine
EN300-118918-100mg
3-(methylsulfanyl)butanoic acid
 16630-65-2 95.0%
100mg
 $132.0 2023-10-03
Enamine
EN300-118918-250mg
3-(methylsulfanyl)butanoic acid
 16630-65-2 95.0%
250mg
 $188.0 2023-10-03
Enamine
EN300-118918-500mg
3-(methylsulfanyl)butanoic acid
 16630-65-2 95.0%
500mg
 $353.0 2023-10-03
Enamine
EN300-118918-1000mg
3-(methylsulfanyl)butanoic acid
 16630-65-2 95.0%
1000mg
 $470.0 2023-10-03
Enamine
EN300-118918-2500mg
3-(methylsulfanyl)butanoic acid
 16630-65-2 95.0%
2500mg
 $923.0 2023-10-03
Enamine
EN300-118918-5000mg
3-(methylsulfanyl)butanoic acid
 16630-65-2 95.0%
5000mg
 $1364.0 2023-10-03
Enamine
EN300-118918-10000mg
3-(methylsulfanyl)butanoic acid
 16630-65-2 95.0%
10000mg
 $2024.0 2023-10-03
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1294998-50mg
3-(Methylsulfanyl)butanoic acid
 16630-65-2 95%
50mg
 ￥2217 2023-04-15
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1294998-100mg
3-(Methylsulfanyl)butanoic acid
 16630-65-2 95%
100mg
 ￥3564 2023-04-15

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