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131779-59-4 | 3-(piperazin-1-yl)-1,2-benzothiazole-1,1-dione hydrochloride
CAS No: 131779-59-4 Catalog No: AG019V0A MDL No:MFCD08277103
Product Description
Catalog Number:
AG019V0A
Chemical Name:
3-(piperazin-1-yl)-1,2-benzothiazole-1,1-dione hydrochloride
CAS Number:
131779-59-4
Molecular Formula:
C11H14ClN3O2S
Molecular Weight:
287.7658
MDL Number:
MFCD08277103
IUPAC Name:
3-piperazin-1-yl-1,2-benzothiazole 1,1-dioxide;hydrochloride
InChI:
InChI=1S/C11H13N3O2S.ClH/c15-17(16)10-4-2-1-3-9(10)11(13-17)14-7-5-12-6-8-14;/h1-4,12H,5-8H2;1H
InChI Key:
JQVGOYKJMNFTGZ-UHFFFAOYSA-N
SMILES:
O=S1(=O)N=C(c2c1cccc2)N1CCNCC1.Cl
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.05g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.762g/mol
Monoisotopic Mass:
287.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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