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128396-56-5 | 1,2-Benzisothiazole, 3-(1-piperazinyl)-, 1-oxide
CAS No: 128396-56-5 Catalog No: AG000Y2A MDL No:
Product Description
Catalog Number:
AG000Y2A
Chemical Name:
1,2-Benzisothiazole, 3-(1-piperazinyl)-, 1-oxide
CAS Number:
128396-56-5
Molecular Formula:
C11H13N3OS
Molecular Weight:
235.3054
IUPAC Name:
3-piperazin-1-yl-1,2-benzothiazole 1-oxide
InChI:
InChI=1S/C11H13N3OS/c15-16-10-4-2-1-3-9(10)11(13-16)14-7-5-12-6-8-14/h1-4,12H,5-8H2
InChI Key:
MOBIZCKXBZKGFC-UHFFFAOYSA-N
SMILES:
O=s1nc(c2c1cccc2)N1CCNCC1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.078g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.305g/mol
Monoisotopic Mass:
235.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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