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87691-87-0 | 3-(1-Piperazinyl)-1,2-benzisothiazole
CAS No: 87691-87-0 Catalog No: AG003HZL MDL No:MFCD04117970
Product Description
Catalog Number:
AG003HZL
Chemical Name:
3-(1-Piperazinyl)-1,2-benzisothiazole
CAS Number:
87691-87-0
Molecular Formula:
C11H13N3S
Molecular Weight:
219.3060
MDL Number:
MFCD04117970
IUPAC Name:
3-piperazin-1-yl-1,2-benzothiazole
InChI:
InChI=1S/C11H13N3S/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
InChI Key:
KRDOFMHJLWKXIU-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1nsc2c1cccc2
EC Number:
618-048-1
UNII:
59D8RAT1F9
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.306g/mol
Monoisotopic Mass:
219.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of a series of 2-substituted-5-thiopropylpiperazine (piperidine)-1,3,4-oxadiazoles derivatives as atypical antipsychotics. | PloS one 20120101 |
| Critical appraisal of lurasidone in the management of schizophrenia. | Neuropsychiatric disease and treatment 20120101 |
| Oral ziprasidone in the treatment of patients with bipolar disorders: a critical review. | Expert review of clinical pharmacology 20110301 |
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