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3-Piperazinyl-1,2-benzisothiazole hydrochloride

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Name

3-Piperazinyl-1,2-benzisothiazole hydrochloride

EINECS N/A
CAS No. 87691-88-1 Density N/A
PSA 56.40000 LogP 2.90170
Solubility N/A Melting Point N/A
Formula C11H14N3ClS Boiling Point 320.2 °C at 760 mmHg
Molecular Weight 255.771 Flash Point 147.4 °C
Transport Information N/A Appearance N/A
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 87691-88-1 (3-Piperazinyl-1,2-benzisothiazole hydrochloride) Hazard Symbols IrritantXi
Synonyms

1,2-Benzisothiazole,3-(1-piperazinyl)-, monohydrochloride (9CI);3-(1-Piperazinyl)-1,2-benzisothiazolemonohydrochloride;3-Piperazin-1-yl-benzo[d]isothiazole hydrochloride;4-(1,2-Benzisothiazol-3-yl)piperazine hydrochloride;

Article Data 6

3-Piperazinyl-1,2-benzisothiazole hydrochloride Specification

The CAS register number of 3-Piperazinyl-1,2-benzisothiazole hydrochloride is 87691-88-1. It also can be called as 1-(1,2-Benzisothiazol-3-yl)piperazine hydrochloride and the systematic name about this chemical is 3-(piperazin-1-yl)-1,2-benzothiazole hydrochloride (1:1). The molecular formula about this chemical is C11H14N3ClS and the molecular weight is 255.76. It belongs to the Sulphur Derivatives. This chemical is commonly used as organic intermediate.

Physical properties about 3-Piperazinyl-1,2-benzisothiazole hydrochloride are: (1)ACD/LogP: 1.41; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 6; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 47.61Å2; (10)Flash Point: 147.4 °C; (11)Enthalpy of Vaporization: 56.18 kJ/mol; (12)Boiling Point: 320.2 °C at 760 mmHg; (13)Vapour Pressure: 0.000323 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.n2sc1ccccc1c2N3CCNCC3
(2)InChI: InChI=1/C11H13N3S.ClH/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14;/h1-4,12H,5-8H2;1H
(3)InChIKey: DOQLJTKEUIJSKK-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C11H13N3S.ClH/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14;/h1-4,12H,5-8H2;1H
(5)Std. InChIKey: DOQLJTKEUIJSKK-UHFFFAOYSA-N

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