Cas no 31299-92-0 (5-(2-Chloroethyl)-4-methyl-2-phenyl-1,3-thiazole)

5-(2-Chloroethyl)-4-methyl-2-phenyl-1,3-thiazole structure
31299-92-0 structure
Product Name:5-(2-Chloroethyl)-4-methyl-2-phenyl-1,3-thiazole
CAS No:31299-92-0
MF:C12H12ClNS
MW:237.748380661011
CID:2107300
Update Time:2023-08-03

5-(2-Chloroethyl)-4-methyl-2-phenyl-1,3-thiazole Chemical and Physical Properties

Names and Identifiers

    • 5-(2-chloroethyl)-4-methyl-2-phenylThiazole
    • 5-(2-chloroethyl)-4-methyl-2-phenyl-1,3-thiazole
    • 5-(2-Chloroethyl)-4-methyl-2-phenyl-1,3-thiazole
    • Inchi: 1S/C12H12ClNS/c1-9-11(7-8-13)15-12(14-9)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
    • InChI Key: CCKKAHCIAYAMBA-UHFFFAOYSA-N
    • SMILES: ClCCC1=C(C)N=C(C2C=CC=CC=2)S1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 194
  • Topological Polar Surface Area: 41.1
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