Cas no 874-45-3 (Benzothiazole,2-methyl-, hydrobromide (1:1))

Benzothiazole,2-methyl-, hydrobromide (1:1) structure
874-45-3 structure
Product Name:Benzothiazole,2-methyl-, hydrobromide (1:1)
CAS No:874-45-3
MF:C8H8BrNS
MW:230.124819755554
CID:707293
PubChem ID:16237421
Update Time:2025-04-19

Benzothiazole,2-methyl-, hydrobromide (1:1) Chemical and Physical Properties

Names and Identifiers

    • Benzothiazole,2-methyl-, hydrobromide (1:1)
    • Benzothiazole, 2-methyl-, hydrobromide (8CI,9CI)
    • IWNZVYDXOXGHBW-UHFFFAOYSA-N
    • 2-methylbenzothiazolium bromide
    • SCHEMBL887893
    • 874-45-3
    • AKOS027418253
    • 2-Methyl-1,3-benzothiazol-3-ium bromide
    • Inchi: 1S/C8H7NS.BrH/c1-6-9-7-4-2-3-5-8(7)10-6;/h2-5H,1H3;1H
    • InChI Key: IWNZVYDXOXGHBW-UHFFFAOYSA-N
    • SMILES: [Br-].S1C(C)=[NH+]C2C=CC=CC1=2

Computed Properties

  • Exact Mass: 149.03
  • Monoisotopic Mass: 149.03
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 126
  • 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
  • Topological Polar Surface Area: 41.1A^2

Experimental Properties

  • Color/Form: Colorless oily
  • Density: 1.173
  • Boiling Point: 238℃
  • Flash Point: 102℃
  • Refractive Index: 1.617
  • LogP: 3.56280

Benzothiazole,2-methyl-, hydrobromide (1:1) Security Information

  • Storage Condition:Store in tightly closed containers. Store in a cool, dry, well ventilated area away from incompatible substances.
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