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Substance Name: Thiazolidine, 2-(p-nitrophenyl)-
RN: 831-25-4
InChIKey: BPCHRWRCVLIXJK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H10-N2-O2-S

Molecular Weight

  • 210.256
 
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Names and Synonyms

Synonyms

  • 2-(4-Nitrophenyl)thiazolidine
  • 2-(p-Nitrophenyl)thiazolidine
  • 4-27-00-01035 (Beilstein Handbook Reference)
  • BRN 0384230

Systematic Name

  • Thiazolidine, 2-(p-nitrophenyl)-

Registry Numbers

CAS Registry Number

  • 831-25-4

System Generated Number

  • 0000831254

Structure Descriptors

InChI

1S/C9H10N2O2S/c12-11(13)8-3-1-7(2-4-8)9-5-14-6-10-9/h1-4,9-10H,5-6H2

InChIKey

BPCHRWRCVLIXJK-UHFFFAOYSA-N

Smiles

C1SCN[C@@H]1c1ccc([N+]([O-])=O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 235, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.68 (none)   EXP
Water Solubility 5910 mg/L 25 EST
Vapor Pressure 1.77E-05 mm Hg 25 EST
Henry's Law Constant 1.17E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.68E-10 cm3/molecule-sec 25 EST

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