Cas no 59411-63-1 (4-Thiazolidinecarboxylic acid, 2-[2-[(2-amino-2-carboxyethyl)thio]ethyl]-)

4-Thiazolidinecarboxylic acid, 2-[2-[(2-amino-2-carboxyethyl)thio]ethyl]- structure
59411-63-1 structure
Product Name:4-Thiazolidinecarboxylic acid, 2-[2-[(2-amino-2-carboxyethyl)thio]ethyl]-
CAS No:59411-63-1
MF:C9H16N2O4S2
MW:280.364339828491
CID:338747
PubChem ID:71442958
Update Time:2025-04-19

4-Thiazolidinecarboxylic acid, 2-[2-[(2-amino-2-carboxyethyl)thio]ethyl]- Chemical and Physical Properties

Names and Identifiers

    • 4-Thiazolidinecarboxylic acid, 2-[2-[(2-amino-2-carboxyethyl)thio]ethyl]-
    • 2-[2-(2-amino-2-carboxyethyl)sulfanylethyl]-1,3-thiazolidine-4-carboxylic acid
    • 59411-63-1
    • DTXSID50851807
    • 2-{2-[(2-AMINO-2-CARBOXYETHYL)SULFANYL]ETHYL}-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID
    • Inchi: 1S/C9H16N2O4S2/c10-5(8(12)13)3-16-2-1-7-11-6(4-17-7)9(14)15/h5-7,11H,1-4,10H2,(H,12,13)(H,14,15)
    • InChI Key: OSDDAQIJQMJYLD-UHFFFAOYSA-N
    • SMILES: S1CC(C(=O)O)NC1CCSCC(C(=O)O)N

Computed Properties

  • Exact Mass: 280.05528
  • Monoisotopic Mass: 280.05514934g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 7
  • Complexity: 290
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -4.9
  • Topological Polar Surface Area: 163?2

Experimental Properties

  • PSA: 112.65
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