Cas no 16708-09-1 (2,4-Thiazolidinedicarboxylicacid, 2-methyl-)

2,4-Thiazolidinedicarboxylicacid, 2-methyl- structure
16708-09-1 structure
Product Name:2,4-Thiazolidinedicarboxylicacid, 2-methyl-
CAS No:16708-09-1
MF:C6H9NO4S
MW:191.204960584641
CID:199731
PubChem ID:98342
Update Time:2025-04-19

2,4-Thiazolidinedicarboxylicacid, 2-methyl- Chemical and Physical Properties

Names and Identifiers

    • 2,4-Thiazolidinedicarboxylicacid, 2-methyl-
    • 2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid
    • 2-methyl-2,4-thiazolidine dicarboxylate
    • 2-Methyl-2,4-thiazolidin-dicarbonsaeure
    • 2-METHYL-THIAZOLIDIN-2,4-DICARBOXYLIC ACID
    • 2-methylthiazolidine-2,4-dicarboxylic acid
    • 2-methyl-thiazolidine-2,4-dicarboxylic acid
    • AC1Q5TC2
    • AG-E-16446
    • AR-1D3897
    • CTK0I0610
    • cysteinylpyruvic acid
    • NSC108912
    • Opt.-inakt. 2-Methyl-thiazolidin-2,4-dicarbonsaeure
    • optically inactive 2-methyl-thiazolidine-2,4-dicarboxylic acid
    • SureCN811864
    • 2,4-dicarboxy-2-methylthiazolidine
    • DTXSID70937273
    • NSC-108912
    • UNII-HCF3F52B8G
    • SCHEMBL811864
    • NSC 108912
    • 2-METHYL-2,4-DICARBOXYTHIAZOLIDINE
    • 2,4-Thiazolidinedicarboxylic acid, 2-methyl-
    • 2-Methyl-2,4-thiazolidinedicarboxylic acid
    • 16708-09-1
    • HCF3F52B8G
    • JCAKCGQZNBEITC-UHFFFAOYSA-N
    • Inchi: 1S/C6H9NO4S/c1-6(5(10)11)7-3(2-12-6)4(8)9/h3,7H,2H2,1H3,(H,8,9)(H,10,11)
    • InChI Key: JCAKCGQZNBEITC-UHFFFAOYSA-N
    • SMILES: S1CC(C(=O)O)NC1(C(=O)O)C

Computed Properties

  • Exact Mass: 191.02527
  • Monoisotopic Mass: 191.025
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 232
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2.5
  • Topological Polar Surface Area: 112?2

Experimental Properties

  • Density: 1.503
  • Boiling Point: 480°Cat760mmHg
  • Flash Point: 244.1°C
  • Refractive Index: 1.577
  • PSA: 86.63
  • LogP: -0.09440
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