Cas no 401936-07-0 (2,4,5-trimethyl-1,3-benzothiazole)

2,4,5-trimethyl-1,3-benzothiazole structure
401936-07-0 structure
Product Name:2,4,5-trimethyl-1,3-benzothiazole
CAS No:401936-07-0
MF:C10H11NS
MW:177.266041040421
MDL:MFCD00643246
CID:328143
PubChem ID:45077052
Update Time:2025-04-19

2,4,5-trimethyl-1,3-benzothiazole Chemical and Physical Properties

Names and Identifiers

    • 2,4,5-Trimethylbenzo[d]thiazole
    • 2,4,5-Trimethyl-1,3-benzothiazole
    • BENZOTHIAZOLE, 2,4,5-TRIMETHYL- (9CI)
    • Benzothiazole,2,4,5-trimethyl-
    • AKOS006271966
    • 2,4,5-trimethylbenzothiazole
    • EN300-748909
    • 401936-07-0
    • DTXSID50663245
    • NS-01513
    • BRA93607
    • AC-27303
    • MFCD00643246
    • CS-0281848
    • FT-0693080
    • SCHEMBL12109863
    • 2,4,5-trimethyl-1,3-benzothiazole
    • MDL: MFCD00643246
    • Inchi: 1S/C10H11NS/c1-6-4-5-9-10(7(6)2)11-8(3)12-9/h4-5H,1-3H3
    • InChI Key: XUKYAGRJUUZOCZ-UHFFFAOYSA-N
    • SMILES: S1C(C)=NC2=C1C=CC(C)=C2C

Computed Properties

  • Exact Mass: 177.06122053g/mol
  • Monoisotopic Mass: 177.06122053g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 171
  • 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: 3.5
  • Topological Polar Surface Area: 41.1?2

2,4,5-trimethyl-1,3-benzothiazole Pricemore >>

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