Cas no 937597-59-6 (2-(butylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid)

2-(butylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid structure
937597-59-6 structure
Product Name:2-(butylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CAS No:937597-59-6
MF:C9H11F3N2O2S
MW:268.256051301956
MDL:MFCD08558213
CID:3060122
PubChem ID:19616611
Update Time:2025-04-21

2-(butylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(Butylamino)-4-(trifluoromethyl)thiazole-5-carboxylic acid
    • 2-(butylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
    • MMB59759
    • 2-(Butylamino)-4-(trifluoromethyl)thiazole-5-carboxylicacid
    • AKOS000313478
    • STK350745
    • MFCD08558213
    • BBL040593
    • EN300-92810
    • 937597-59-6
    • MDL: MFCD08558213
    • Inchi: 1S/C9H11F3N2O2S/c1-2-3-4-13-8-14-6(9(10,11)12)5(17-8)7(15)16/h2-4H2,1H3,(H,13,14)(H,15,16)
    • InChI Key: JGOHIIAYFYGFHL-UHFFFAOYSA-N
    • SMILES: S1C(C(=O)O)=C(C(F)(F)F)N=C1NCCCC

Computed Properties

  • Exact Mass: 268.04933326Da
  • Monoisotopic Mass: 268.04933326Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 275
  • 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: 3.3
  • Topological Polar Surface Area: 90.5?2

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