3-Piperazinyl-1,2-benzisothiazole hydrochloride supplier

Name
3-Piperazinyl-1,2-benzisothiazole hydrochloride
EINECS
CAS No. 87691-88-1
Article Data6
CAS DataBase
Density
Solubility
Melting Point
Formula C₁₁H₁₄N₃ClS
Boiling Point 320.2 °C at 760 mmHg
Molecular Weight 255.771
Flash Point 147.4 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
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;
PSA 56.40000
LogP 2.90170

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

Product Name

3-Piperazinyl-1,2-benzisothiazole hydrochloride

3-Piperazinyl-1,2-benzisothiazole hydrochloride Specification

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