Cas no 85030-09-7 (2-(3-aminopropyl)-1,2-benzisothiazol-3(2h)-one)

2-(3-aminopropyl)-1,2-benzisothiazol-3(2h)-one structure
85030-09-7 structure
Product Name:2-(3-aminopropyl)-1,2-benzisothiazol-3(2h)-one
CAS No:85030-09-7
MF:C10H12N2OS
MW:208.280080795288
CID:887700
PubChem ID:16205558
Update Time:2025-04-19

2-(3-aminopropyl)-1,2-benzisothiazol-3(2h)-one Chemical and Physical Properties

Names and Identifiers

    • 2-(3-aminopropyl)-1,2-benzisothiazol-3(2h)-one
    • 2-(3-aminopropyl)-1,2-benzothiazol-3-one
    • 85030-09-7
    • 1,2-BENZISOTHIAZOL-3(2H)-ONE, 2-(3-AMINOPROPYL)-
    • NS00060831
    • Q27275121
    • C33HP08GV7
    • EINECS 285-133-4
    • DTXSID701005391
    • 2-(3-Aminopropyl)-1,2-benzothiazol-3(2H)-one
    • SCHEMBL79983
    • UNII-C33HP08GV7
    • AKOS020013302
    • Inchi: 1S/C10H12N2OS/c11-6-3-7-12-10(13)8-4-1-2-5-9(8)14-12/h1-2,4-5H,3,6-7,11H2
    • InChI Key: UORBMPNLYIVOCG-UHFFFAOYSA-N
    • SMILES: S1C2C=CC=CC=2C(N1CCCN)=O

Computed Properties

  • Exact Mass: 208.067034
  • Monoisotopic Mass: 208.067034
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 222
  • 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
  • Topological Polar Surface Area: 71.6
  • XLogP3: 0.9

Experimental Properties

  • Density: 1.275
  • Boiling Point: 375.5°C at 760 mmHg
  • Flash Point: 180.9°C
  • Refractive Index: 1.636
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