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133070-64-1 | 3-(Piperazin-1-yl)benzo[d]isothiazole dihydrochloride
CAS No: 133070-64-1 Catalog No: AG009XC5 MDL No:
Product Description
Catalog Number:
AG009XC5
Chemical Name:
3-(Piperazin-1-yl)benzo[d]isothiazole dihydrochloride
CAS Number:
133070-64-1
Molecular Formula:
C11H15Cl2N3S
Molecular Weight:
292.2279
IUPAC Name:
3-piperazin-1-yl-1,2-benzothiazole;dihydrochloride
InChI:
InChI=1S/C11H13N3S.2ClH/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14;;/h1-4,12H,5-8H2;2*1H
InChI Key:
LFBBAHDQZOKLSJ-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1nsc2c1cccc2.Cl.Cl
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
292.222g/mol
Monoisotopic Mass:
291.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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