Cas no 37695-38-8 (2,2-dimethyl-3-(methylsulfanyl)propanoic acid)

2,2-dimethyl-3-(methylsulfanyl)propanoic acid structure
37695-38-8 structure
Product Name:2,2-dimethyl-3-(methylsulfanyl)propanoic acid
CAS No:37695-38-8
MF:C6H12O2S
MW:148.223280906677
MDL:MFCD18431159
CID:1485645
PubChem ID:14147024
Update Time:2025-09-18

2,2-dimethyl-3-(methylsulfanyl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid, 2,2-dimethyl-3-(methylthio)-
    • 2,2-dimethyl-3-(methylthio)propanoic acid
    • MFCD18431159
    • 2,2-dimethyl-3-(methylsulfanyl)propanoic acid
    • 2,2-dimethyl-3-(methylthio)propanoicacid
    • 37695-38-8
    • AKOS006377049
    • AS-66752
    • W18315
    • EN300-181508
    • SCHEMBL163891
    • FQIWBMWNNPWQTI-UHFFFAOYSA-N
    • 2,2-dimethyl-3-methylsulfanylpropanoic acid
    • Z1205494330
    • MDL: MFCD18431159
    • Inchi: 1S/C6H12O2S/c1-6(2,4-9-3)5(7)8/h4H2,1-3H3,(H,7,8)
    • InChI Key: FQIWBMWNNPWQTI-UHFFFAOYSA-N
    • SMILES: S(C)CC(C(=O)O)(C)C

Computed Properties

  • Exact Mass: 148.05586
  • Monoisotopic Mass: 148.05580079g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 110
  • 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: 1.3
  • Topological Polar Surface Area: 62.6?2

Experimental Properties

  • PSA: 37.3

2,2-dimethyl-3-(methylsulfanyl)propanoic acid Pricemore >>

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