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Substance Name: 3-(1-Piperazinyl)-1,2-benzisothiazole
RN: 87691-87-0
UNII: 59D8RAT1F9
InChIKey: KRDOFMHJLWKXIU-UHFFFAOYSA-N

Molecular Formula

  • C11-H13-N3-S

Molecular Weight

  • 219.3107
 
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Names and Synonyms

Name of Substance

  • 3-(1-Piperazinyl)-1,2-benzisothiazole

Synonyms

  • 1,2-Benzisothiazole, 3-(1-piperazinyl)-
  • 3-(1-Piperazinyl)-1,2-benzisothiazole
  • 3-(Piperazin-1-yl)benzo(d)isothiazole
  • 3-Piperazin-1-yl-1,2-benzisothiazole
  • 3-Piperazin-1-yl-benzo(d)isothiazole
  • ID-11614
  • MJ-14069
  • N-(3-Benzisothiazolyl)piperazine
  • UNII-59D8RAT1F9
  • Ziprasidone hydrochloride monohydrate specified impurity A [EP]
  • Ziprasidone related compound A free base

Registry Numbers

CAS Registry Number

  • 87691-87-0

FDA UNII

  • 59D8RAT1F9

System Generated Number

  • 0087691870

Structure Descriptors

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

c1ccc2c(c1)c(ns2)N3CCNCC3

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.14 (none)   EXP
Water Solubility 5260 mg/L 25 EST
Vapor Pressure 2.68E-06 mm Hg 25 EST
Henry's Law Constant 8.79E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.06E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.