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Substance Name: 2-Thiazolamine, N-(1,4-dimethyl-2-imidazolidinyl)-5-nitro-
RN: 31052-78-5
InChIKey: QQICMSFIPONKGQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H11-N5-O2-S

Molecular Weight

  • 241.2739
 
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Names and Synonyms

Synonyms

  • 2-(1,4-Dimethyl-1,3-imidazolinyliden-(2)-amino)-5-nitrothiazol
  • 2-(1,4-Dimethyl-1,3-imidazolinyliden-(2)-amino)-5-nitrothiazol [German]
  • BRN 1137578
  • N-(1,4-Dimethyl-2-imidazolidinyl)-5-nitro-2-thiazolamine

Systematic Name

  • 2-Thiazolamine, N-(1,4-dimethyl-2-imidazolidinyl)-5-nitro-

Registry Numbers

CAS Registry Number

  • 31052-78-5

System Generated Number

  • 0031052785

Structure Descriptors

InChI

1S/C8H11N5O2S/c1-5-4-12(2)7(10-5)11-8-9-3-6(16-8)13(14)15/h3,5H,4H2,1-2H3,(H,9,10,11)

InChIKey

QQICMSFIPONKGQ-UHFFFAOYSA-N

Smiles

CC1CN(C(=N1)Nc2ncc(s2)[N+](=O)[O-])C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 10gm/kg (10000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1045, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.95 (none)   EXP
Water Solubility 233 mg/L 25 EST
Vapor Pressure 2.20E-06 mm Hg 25 EST
Henry's Law Constant 2.24E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.52E-10 cm3/molecule-sec 25 EST

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