Cas no 180207-53-8 (2-Thiazolecarbonitrile,4-(2-hydroxyethyl)-)

2-Thiazolecarbonitrile,4-(2-hydroxyethyl)- structure
180207-53-8 structure
Product Name:2-Thiazolecarbonitrile,4-(2-hydroxyethyl)-
CAS No:180207-53-8
MF:C6H6N2OS
MW:154.189639568329
CID:113396
PubChem ID:45121869
Update Time:2025-04-18

2-Thiazolecarbonitrile,4-(2-hydroxyethyl)- Chemical and Physical Properties

Names and Identifiers

    • 2-Thiazolecarbonitrile,4-(2-hydroxyethyl)-
    • 2-Thiazolecarbonitrile, 4-(2-hydroxyethyl)-
    • 4-(2-hydroxyethyl)thiazole-2-carbonitrile
    • 180207-53-8
    • Inchi: 1S/C6H6N2OS/c7-3-6-8-5(1-2-9)4-10-6/h4,9H,1-2H2
    • InChI Key: WXJIWAPGEUAFQH-UHFFFAOYSA-N
    • SMILES: S1C(C#N)=NC(=C1)CCO

Computed Properties

  • Exact Mass: 154.02018
  • Monoisotopic Mass: 154.02
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 153
  • 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: 85.2A^2
  • XLogP3: 0.6

Experimental Properties

  • PSA: 56.91
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