1,2-Benzisothiazole, 3-(1-piperazinyl)-


Chemical Name: 1,2-Benzisothiazole, 3-(1-piperazinyl)-
CAS Number: 87691-87-0
Product Number: AG003HZL(AGN-PC-0KKUIV)
Synonyms:
MDL No:
Molecular Formula: C11H13N3S
Molecular Weight: 219.3060

Identification/Properties


Properties
MP:
89.0 to 93.0 °C
BP:
320.2 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
219.306g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
219.083g/mol
Monoisotopic Mass:
219.083g/mol
Topological Polar Surface Area:
56.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
218
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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