3-(1-Piperazinyl)-1,2-benzisothiazole Chemical Properties

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)

Safety Information

Hazard Codes 

Xi,T

Risk Statements 

25-36/38

Safety Statements 

26-45

RIDADR 

UN 2811 6.1 / PGIII

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

29349990

3-(1-Piperazinyl)-1,2-benzisothiazole Usage And Synthesis

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.

3-(1-Piperazinyl)-1,2-benzisothiazole(87691-87-0)Related Product Information

• Methylchloroisothiazolinone/methylisothiazolinone mixture (MCIT/MIT)
• Isothiazole
• 1,2-Benzisothiazol-3(2H)-one
• 2,2'-Dithiobis(benzothiazole)
• Probenazole
• 2-Mercaptobenzothiazole
• 2-Methyl-4-isothiazolin-3-one
• Benzothiazole
• Ziprasidone hydrochloride monohydrate
• Ziprasidone QT
• Ziprasidone IMpurity (6-Chloro-5-(2-Chloro-1-Hydroxy-Ethyl)-1,3-Dihydro-Indol-2-One)
• 3-Oxo Ziprasidone (Ziprasidone Impurity B)
• Ziprasidone Sulfoxide
• 5,5'-Bis(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6,6'-dichloro-3-hydroxy-3,3'-biindoline-2,2'-dione
• Ziprasidone Ring-opened IMpurity (IMpurity C)
• Ziprasidone Impurity 3
• Isopropylidene ziprasidone
• 1,1-DIMETHYLETHYL 4-(1,2-BENZISOTHIAZOLE-3-YL)-1-PIPERAZINECARBOXYLATE