Cas no 141499-30-1 (1,2-Pyrazolidinedicarboxaldehyde, 4-mercapto- (9CI))

1,2-Pyrazolidinedicarboxaldehyde, 4-mercapto- (9CI) structure
141499-30-1 structure
Product Name:1,2-Pyrazolidinedicarboxaldehyde, 4-mercapto- (9CI)
CAS No:141499-30-1
MF:C5H8N2O2S
MW:160.194219589233
CID:101618
PubChem ID:45083361
Update Time:2025-04-18

1,2-Pyrazolidinedicarboxaldehyde, 4-mercapto- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,2-Pyrazolidinedicarboxaldehyde, 4-mercapto- (9CI)
    • 1,2-Pyrazolidinedicarboxaldehyde,4-mercapto-
    • 4-Mercaptopyrazolidine-1,2-dicarbaldehyde
    • 141499-30-1
    • Inchi: 1S/C5H8N2O2S/c8-3-6-1-5(10)2-7(6)4-9/h3-5,10H,1-2H2
    • InChI Key: ATIOHIOXOKHDSB-UHFFFAOYSA-N
    • SMILES: SC1CN(C=O)N(C=O)C1

Computed Properties

  • Exact Mass: 160.031
  • Monoisotopic Mass: 160.031
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 137
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 41.6A^2
  • XLogP3: -0.4

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