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Substance Name: 1H-Imidazole, 1-(2-(methylsulfinyl)ethyl)-2-nitro-
RN: 74141-73-4
InChIKey: QLUPQWGVSUSFPS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H9-N3-O3-S

Molecular Weight

  • 203.2211
 
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Names and Synonyms

Synonyms

  • 1-(2-(Methylsulfinyl)ethyl)-2-nitro-1H-imidazole
  • SR 2512

Systematic Name

  • 1H-Imidazole, 1-(2-(methylsulfinyl)ethyl)-2-nitro-

Registry Numbers

CAS Registry Number

  • 74141-73-4

System Generated Number

  • 0074141734

Structure Descriptors

InChI

1S/C6H9N3O3S/c1-13(12)5-4-8-3-2-7-6(8)9(10)11/h2-3H,4-5H2,1H3

InChIKey

QLUPQWGVSUSFPS-UHFFFAOYSA-N

Smiles

CS(=O)CCn1ccnc1[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4371540,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.22E+00 (none)   EXP
Water Solubility 1.89E+05 mg/L 25 EST
Vapor Pressure 9.43E-07 mm Hg 25 EST
Henry's Law Constant 2.82E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.57E-11 cm3/molecule-sec 25 EST

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