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Substance Name: 2-Thiazolamine, N-(1-methyl-2-imidazolidinyl)-5-nitro-
RN: 31052-76-3
InChIKey: JTRRMFTWVJSBAA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H9-N5-O2-S

Molecular Weight

  • 227.2471
 
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Names and Synonyms

Synonyms

  • 2-(1-Methyl-1,3-imidazolinyliden-(2)-amino)-5-nitrothiazol
  • 2-(1-Methyl-1,3-imidazolinyliden-(2)-amino)-5-nitrothiazol [German]
  • BRN 1130930
  • N-(1-Methyl-2-imidazolidinyl)-5-nitro-2-thiazolamine

Systematic Name

  • 2-Thiazolamine, N-(1-methyl-2-imidazolidinyl)-5-nitro-

Registry Numbers

CAS Registry Number

  • 31052-76-3

System Generated Number

  • 0031052763

Structure Descriptors

InChI

1S/C7H9N5O2S/c1-11-3-2-8-6(11)10-7-9-4-5(15-7)12(13)14/h4H,2-3H2,1H3,(H,8,9,10)

InChIKey

JTRRMFTWVJSBAA-UHFFFAOYSA-N

Smiles

CN1CCN=C1Nc2ncc(s2)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 7600mg/kg (7600mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1045, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.8 (none)   EXP
Water Solubility 372 mg/L 25 EST
Vapor Pressure 3.83E-06 mm Hg 25 EST
Henry's Law Constant 1.69E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.44E-10 cm3/molecule-sec 25 EST

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