Cas no 1512025-53-4 (2-(4-Acetylthiomorpholin-3-yl)acetic acid)

2-(4-Acetylthiomorpholin-3-yl)acetic acid structure
1512025-53-4 structure
Product Name:2-(4-Acetylthiomorpholin-3-yl)acetic acid
CAS No:1512025-53-4
MF:C8H13NO3S
MW:203.258721113205
CID:5788205
PubChem ID:66443280
Update Time:2023-12-26

2-(4-Acetylthiomorpholin-3-yl)acetic acid Chemical and Physical Properties

Names and Identifiers

    • CS-0345808
    • AKOS015788605
    • 2-(4-acetylthiomorpholin-3-yl)acetic acid
    • 1512025-53-4
    • EN300-5008536
    • 3-Thiomorpholineacetic acid, 4-acetyl-
    • 2-(4-Acetylthiomorpholin-3-yl)acetic acid
    • Inchi: 1S/C8H13NO3S/c1-6(10)9-2-3-13-5-7(9)4-8(11)12/h7H,2-5H2,1H3,(H,11,12)
    • InChI Key: HJSZPXSBJCOZEX-UHFFFAOYSA-N
    • SMILES: S1CCN(C(C)=O)C(CC(=O)O)C1

Computed Properties

  • Exact Mass: 203.06161445g/mol
  • Monoisotopic Mass: 203.06161445g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 219
  • 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
  • XLogP3: -0.3
  • Topological Polar Surface Area: 82.9?2

Experimental Properties

  • Density: 1.266±0.06 g/cm3(Predicted)
  • Boiling Point: 449.7±30.0 °C(Predicted)
  • pka: 4.59±0.10(Predicted)

2-(4-Acetylthiomorpholin-3-yl)acetic acid Pricemore >>

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