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Substance Name: 1,3-Diethyl-2-imidazolidinethione
RN: 30826-80-3
UNII: K1R72K8LXV
InChIKey: VLAZWTFELFNZTO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H14-N2-S

Molecular Weight

  • 158.268
 
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Names and Synonyms

Name of Substance

  • 1,3-Diethyl-2-imidazolidinethione

Synonyms

  • 1,3-Diethyl-2-imidazolidinethione
  • 5-24-01-00174 (Beilstein Handbook Reference)
  • BRN 0114784
  • N,N'-Diethylethylenethiourea
  • NSC 186242
  • UNII-K1R72K8LXV

Systematic Name

  • 2-Imidazolidinethione, 1,3-diethyl-

Registry Numbers

CAS Registry Number

  • 30826-80-3

FDA UNII

  • K1R72K8LXV

System Generated Number

  • 0030826803

Structure Descriptors

InChI

1S/C7H14N2S/c1-3-8-5-6-9(4-2)7(8)10/h3-6H2,1-2H3

InChIKey

VLAZWTFELFNZTO-UHFFFAOYSA-N

Smiles

N1(C(N(CC)CC1)=S)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 138, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.13 (none)   EXP
Water Solubility 7.70E+04 mg/L 25 EST
Vapor Pressure 1.83E-03 mm Hg 25 EST
Henry's Law Constant 2.85E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.63E-10 cm3/molecule-sec 25 EST

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