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Substance Name: 2(1H)-Pyrimidinethione, tetrahydro-1,3-dipropyl-
RN: 30826-88-1
InChIKey: FWTLMXBRDIEOJQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H20-N2-S

Molecular Weight

  • 200.348
 
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Names and Synonyms

Synonyms

  • 2(1H)-Pyrimidinethione, 1,3-dipropyltetrahydro-
  • BRN 0511259
  • N,N'-Dipropyltrimethylenethiourea
  • Tetrahydro-1,3-dipropyl-2(1H)-pyrimidinethione

Systematic Name

  • 2(1H)-Pyrimidinethione, tetrahydro-1,3-dipropyl-

Registry Numbers

CAS Registry Number

  • 30826-88-1

System Generated Number

  • 0030826881

Structure Descriptors

InChI

1S/C10H20N2S/c1-3-6-11-8-5-9-12(7-4-2)10(11)13/h3-9H2,1-2H3

InChIKey

FWTLMXBRDIEOJQ-UHFFFAOYSA-N

Smiles

C1(N(CCCN1CCC)CCC)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 385mg/kg (385mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 138, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.83 (none)   EXP
Water Solubility 1700 mg/L 25 EST
Vapor Pressure 9.09E-05 mm Hg 25 EST
Henry's Law Constant 6.67E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.79E-10 cm3/molecule-sec 25 EST

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