Cas no 933738-03-5 ((5-chloro-1,3-benzothiazol-2-yl)methanamine)

(5-chloro-1,3-benzothiazol-2-yl)methanamine structure
933738-03-5 structure
Product Name:(5-chloro-1,3-benzothiazol-2-yl)methanamine
CAS No:933738-03-5
MF:C8H7ClN2S
MW:198.672579050064
CID:838478
PubChem ID:28377290
Update Time:2025-04-19

(5-chloro-1,3-benzothiazol-2-yl)methanamine Chemical and Physical Properties

Names and Identifiers

    • (5-Chlorobenzo[d]thiazol-2-yl)methanamine
    • (5-chloro-1,3-benzothiazol-2-yl)methanamine
    • 5-chloro-2-Benzothiazolemethanamine
    • 933738-03-5
    • EN300-55424
    • AKOS000204310
    • CHEMBL4540729
    • Z319450042
    • SCHEMBL3248813
    • DTXSID60651350
    • 1-(5-Chloro-1,3-benzothiazol-2-yl)methanamine
    • FT-0766997
    • DB-023310
    • Inchi: 1S/C8H7ClN2S/c9-5-1-2-7-6(3-5)11-8(4-10)12-7/h1-3H,4,10H2
    • InChI Key: VFULOPFTUQAWMP-UHFFFAOYSA-N
    • SMILES: ClC1C=CC2=C(C=1)N=C(CN)S2

Computed Properties

  • Exact Mass: 198.0018471g/mol
  • Monoisotopic Mass: 198.0018471g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 167
  • 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: 1.9
  • Topological Polar Surface Area: 67.2?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 318.7±22.0 °C at 760 mmHg
  • Flash Point: 146.5±22.3 °C
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

(5-chloro-1,3-benzothiazol-2-yl)methanamine Security Information

(5-chloro-1,3-benzothiazol-2-yl)methanamine Pricemore >>

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