Cas no 1697332-87-8 (4-Chloro-2-(3,4-dihydroxypyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde)

4-Chloro-2-(3,4-dihydroxypyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde structure
1697332-87-8 structure
Product Name:4-Chloro-2-(3,4-dihydroxypyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CAS No:1697332-87-8
MF:C8H9ClN2O3S
MW:248.686659574509
CID:5706764
PubChem ID:106670044
Update Time:2023-10-15

4-Chloro-2-(3,4-dihydroxypyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • EN300-725447
    • 1697332-87-8
    • 4-Chloro-2-(3,4-dihydroxypyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
    • CID 106670044
    • 5-Thiazolecarboxaldehyde, 4-chloro-2-(3,4-dihydroxy-1-pyrrolidinyl)-
    • Inchi: 1S/C8H9ClN2O3S/c9-7-6(3-12)15-8(10-7)11-1-4(13)5(14)2-11/h3-5,13-14H,1-2H2
    • InChI Key: OWBZHZSKUMTRFC-UHFFFAOYSA-N
    • SMILES: ClC1=C(C=O)SC(=N1)N1CC(C(C1)O)O

Computed Properties

  • Exact Mass: 248.0022410g/mol
  • Monoisotopic Mass: 248.0022410g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 248
  • 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: 0.7
  • Topological Polar Surface Area: 102?2

Experimental Properties

  • Density: 1.723±0.06 g/cm3(Predicted)
  • Boiling Point: 447.0±55.0 °C(Predicted)
  • pka: 13.51±0.40(Predicted)

4-Chloro-2-(3,4-dihydroxypyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-725447-1.0g
4-chloro-2-(3,4-dihydroxypyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
1697332-87-8
1g
$0.0 2023-06-06
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