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Substance Name: 2-Thiazolamine, 5-nitro-N-(4,5,5-trimethyl-2-oxazolidinylidene)-
RN: 30122-47-5
InChIKey: PMIAXZGCKWNUAL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H12-N4-O3-S

Molecular Weight

  • 256.2848
 
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Names and Synonyms

Synonyms

  • 2-(4,5,5-Trimethyl-1,3-oxazinyliden-(2)-amino)-5-nitrothiazol
  • 2-(4,5,5-Trimethyl-1,3-oxazinyliden-(2)-amino)-5-nitrothiazol [German]
  • 5-Nitro-N-(4,5,5-trimethyl-2-oxazolidinylidene)-2-thiazolamine
  • BRN 5389470

Systematic Name

  • 2-Thiazolamine, 5-nitro-N-(4,5,5-trimethyl-2-oxazolidinylidene)-

Registry Numbers

CAS Registry Number

  • 30122-47-5

System Generated Number

  • 0030122475

Structure Descriptors

InChI

1S/C9H12N4O3S/c1-5-9(2,3)16-7(11-5)12-8-10-4-6(17-8)13(14)15/h4-5H,1-3H3,(H,10,11,12)

InChIKey

PMIAXZGCKWNUAL-UHFFFAOYSA-N

Smiles

CC1C(O/C(=N/c2ncc(s2)[N+](=O)[O-])/N1)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 25800mg/kg (25800mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1045, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.88 (none)   EXP
Water Solubility 2250 mg/L 25 EST
Vapor Pressure 1.36E-06 mm Hg 25 EST
Henry's Law Constant 9.33E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.05E-10 cm3/molecule-sec 25 EST

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