Cas no 72850-77-2 ( )

  structure
  structure
Product Name: 
CAS No:72850-77-2
MF:C10H14ClNO2S
MW:247.74166059494
CID:875400
PubChem ID:13106534
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 2-CHLORO-4-(1,1-DIMETHYLETHYL)-5-THIAZOLECARBOXYLIC ACID ETHYL ESTER
    • Ethyl 2-chloro-4-(1,1-dimethylethyl)-5-thiazolecarboxylate
    • 72850-77-2
    • SCHEMBL10820916
    • DTXSID201193705
    •  
    • Inchi: 1S/C10H14ClNO2S/c1-5-14-8(13)6-7(10(2,3)4)12-9(11)15-6/h5H2,1-4H3
    • InChI Key: XVCUUXCJAKBPKJ-UHFFFAOYSA-N
    • SMILES: ClC1=NC(=C(C(=O)OCC)S1)C(C)(C)C

Computed Properties

  • Exact Mass: 247.0433776g/mol
  • Monoisotopic Mass: 247.0433776g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 242
  • 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
  • XLogP3: 4.2
  • Topological Polar Surface Area: 67.4?2
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