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CAS No.: | 87691-88-1 |
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Name: | 3-Piperazinyl-1,2-benzisothiazole hydrochloride |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C11H14N3ClS |
Molecular Weight: | 255.771 |
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; |
Boiling Point: | 320.2 °C at 760 mmHg |
Flash Point: | 147.4 °C |
Hazard Symbols: | Xi |
Safety: | 24/25 |
PSA: | 56.40000 |
LogP: | 2.90170 |
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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