Cas no 54266-38-5 ((2-Hydroxyethyl)ammonium 2-mercaptopropionate)

(2-Hydroxyethyl)ammonium 2-mercaptopropionate structure
54266-38-5 structure
Product Name:(2-Hydroxyethyl)ammonium 2-mercaptopropionate
CAS No:54266-38-5
MF:C5H13NO3S
MW:167.226620435715
CID:374453
PubChem ID:6452961
Update Time:2025-04-19

(2-Hydroxyethyl)ammonium 2-mercaptopropionate Chemical and Physical Properties

Names and Identifiers

    • (2-Hydroxyethyl)ammonium 2-mercaptopropionate
    • 2-hydroxyethylazanium,2-sulfanylpropanoate
    • 2-hydroxyethanaminium 2-sulfanylpropanoate
    • EINECS 259-050-9
    • NS00089780
    • 2-hydroxyethylazanium;2-sulfanylpropanoate
    • 54266-38-5
    • Inchi: 1S/C3H6O2S.C2H7NO/c1-2(6)3(4)5;3-1-2-4/h2,6H,1H3,(H,4,5);4H,1-3H2
    • InChI Key: KNRGNPYMOIKFMS-UHFFFAOYSA-N
    • SMILES: SC(C(=O)[O-])C.OCC[NH3+]

Computed Properties

  • Exact Mass: 167.06169
  • Monoisotopic Mass: 167.061614
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 66.3
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 89

Experimental Properties

  • Boiling Point: 205.3°C at 760 mmHg
  • Flash Point: 87°C
  • PSA: 88
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