Cas no 149168-07-0 (Thiazole, 2-(bromomethyl)-4-(1-methylethyl)-)

Thiazole, 2-(bromomethyl)-4-(1-methylethyl)- structure
149168-07-0 structure
Product Name:Thiazole, 2-(bromomethyl)-4-(1-methylethyl)-
CAS No:149168-07-0
MF:C7H10BrNS
MW:220.129999637604
CID:1320891
PubChem ID:22063597
Update Time:2025-04-20

Thiazole, 2-(bromomethyl)-4-(1-methylethyl)- Chemical and Physical Properties

Names and Identifiers

    • Thiazole, 2-(bromomethyl)-4-(1-methylethyl)-
    • VCMVMMBPKAHJHO-UHFFFAOYSA-N
    • DB-163369
    • 2-(bromomethyl)-4-isopropylthiazole
    • 2-(bromomethyl)-4-isopropyl-1,3-thiazole
    • SCHEMBL5779345
    • 149168-07-0
    • Inchi: 1S/C7H10BrNS/c1-5(2)6-4-10-7(3-8)9-6/h4-5H,3H2,1-2H3
    • InChI Key: VCMVMMBPKAHJHO-UHFFFAOYSA-N
    • SMILES: BrCC1=NC(=CS1)C(C)C

Computed Properties

  • Exact Mass: 218.9718
  • Monoisotopic Mass: 218.97173g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 108
  • 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: 2.7
  • Topological Polar Surface Area: 41.1?2

Experimental Properties

  • PSA: 12.89
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