Cas no 26995-94-8 (3-(methylsulfanyl)prop-2-enoic acid)

3-(methylsulfanyl)prop-2-enoic acid structure
26995-94-8 structure
Product Name:3-(methylsulfanyl)prop-2-enoic acid
CAS No:26995-94-8
MF:C4H6O2S
MW:118.154240131378
CID:2019412
PubChem ID:6441475
Update Time:2025-04-21

3-(methylsulfanyl)prop-2-enoic acid Chemical and Physical Properties

Names and Identifiers

    • (E)-3-(Methylthio)-2-propenoic acid
    • (E)-3-(methylthio)-propenoic acid
    • (E)-3-(methylthio)acrylic acid
    • (E)-3-(methylthio)propenoic acid
    • (E)-3-methylthioacrylic acid
    • (E)-beta-methylthiopropenoic acid
    • 3-(Methylthio)-2-propenoic acid
    • trans 3-methylthioacrilyc acid
    • SCHEMBL3395298
    • 3-(Methylthio)acrylic acid
    • 26995-94-8
    • AKOS017409080
    • BBA99594
    • 3-(methylthio)-propenoic acid
    • 3-(methylsulfanyl)prop-2-enoic acid
    • Inchi: 1S/C4H6O2S/c1-7-3-2-4(5)6/h2-3H,1H3,(H,5,6)/b3-2-
    • InChI Key: RCZLOQQOUWHMIS-IHWYPQMZSA-N
    • SMILES: CS/C=C\C(=O)O

Computed Properties

  • Exact Mass: 118.00885060Da
  • Monoisotopic Mass: 118.00885060Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 2
  • Complexity: 87.7
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 0.5
  • Topological Polar Surface Area: 62.6?2

3-(methylsulfanyl)prop-2-enoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
M262348-10mg
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$ 50.00 2022-06-04
TRC
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$ 185.00 2022-06-04
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$ 295.00 2022-06-04
Enamine
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Enamine
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Enamine
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