Cas no 1781528-33-3 (5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-ylmethanol)

5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-ylmethanol structure
1781528-33-3 structure
Product Name:5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-ylmethanol
CAS No:1781528-33-3
MF:C6H6F3NOS
MW:197.178150653839
CID:5691420
PubChem ID:105450427
Update Time:2023-11-24

5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-ylmethanol Chemical and Physical Properties

Names and Identifiers

    • EN300-1599468
    • 1781528-33-3
    • [5-Methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
    • 2-Thiazolemethanol, 5-methyl-4-(trifluoromethyl)-
    • 5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-ylmethanol
    • Inchi: 1S/C6H6F3NOS/c1-3-5(6(7,8)9)10-4(2-11)12-3/h11H,2H2,1H3
    • InChI Key: JWCYEEYNZZTIMJ-UHFFFAOYSA-N
    • SMILES: S1C(CO)=NC(C(F)(F)F)=C1C

Computed Properties

  • Exact Mass: 197.01221947g/mol
  • Monoisotopic Mass: 197.01221947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 163
  • 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: 1.4
  • Topological Polar Surface Area: 61.4?2

Experimental Properties

  • Density: 1.452±0.06 g/cm3(Predicted)
  • Boiling Point: 222.7±40.0 °C(Predicted)
  • pka: 12.82±0.10(Predicted)

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-1599468-0.05g
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Enamine
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Enamine
EN300-1599468-5.0g
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