| Identification | More | [Name]
3-(1-Piperazinyl)-1,2-benzisothiazole | [CAS]
87691-87-0 | [Synonyms]
1-(1,2-BENZISOTHIAZOL-3-YL)PIPERAZINE
1,2-BENZISOTHIAZOLE-3-(1-PIPERAZINYL)
3-(1-PIPERAZINYL)-1,2-BENZISOTHIAZOLE
3-PIPERAZIN-1-YL-BENZO[D]ISOTHIAZOLE
3-PIPERAZINOBENZISOTHIAZOLE
3-PIPERAZINYL-1,2-BENZISOTHIAZOLE
4-(1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINE
AKOS B030093
ASINEX-REAG BAS 13031053
1-(1,2-BENZISOTHIAZOL-3-YL)-PIPERAZINE (BASE)
3-Piperazinyl-1,2-Benzisothiazole Hcl
BENZTHIAZOLE PIPERAZINE HCL | [EINECS(EC#)]
618-048-1 | [Molecular Formula]
C11H13N3S | [MDL Number]
MFCD04117970 | [Molecular Weight]
219.31 | [MOL File]
87691-87-0.mol |
| Chemical Properties | Back Directory | [Melting point ]
89.0 to 93.0 °C | [Boiling point ]
320.2±35.0 °C(Predicted) | [density ]
1.256 | [storage temp. ]
2-8°C | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
8.52±0.10(Predicted) | [color ]
White to Light yellow | [BRN ]
4253627 | [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 | [InChIKey]
KRDOFMHJLWKXIU-UHFFFAOYSA-N | [SMILES]
S1C2=C(C=CC=C2)C(N2CCNCC2)=N1 | [LogP]
2.14 | [CAS DataBase Reference]
87691-87-0(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
3-(1-Piperazinyl)-1,2-benzisothiazole is Yellow Solid
| [Uses]
3-(1-Piperazinyl)-1,2-benzisothiazole is a reagent used to synthesize Ziprasidione
| [Definition]
ChEBI: ID11614 is a N-arylpiperazine. | [IC 50]
5-HT1A Receptor: 190 nM (IC50); 5-HT2 Receptor: 110 nM (IC50) | [References]
[1] Bioorganic and Medicinal Chemistry, 2014, vol. 22, # 23, p. 6552 - 6563
[2] Patent: CN108440520, 2018, A. Location in patent: Paragraph 0054; 0056; 0062; 0063
[3] Journal of Medicinal Chemistry, 1986, vol. 29, # 3, p. 359 - 369
[4] Patent: WO2010/38948, 2010, A2. Location in patent: Page/Page column 54-55
[5] Chemical and Pharmaceutical Bulletin, 1995, vol. 43, # 12, p. 2139 - 2151 |
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