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Substance Name: 8-(Methylthio)purine
RN: 33426-53-8
UNII: 6I3KZE7926
InChIKey: OOUSHFSJKWPYDZ-UHFFFAOYSA-N

Molecular Formula

  • C6-H6-N4-S

Molecular Weight

  • 166.207
 
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Names and Synonyms

Name of Substance

  • 8-(Methylthio)purine

Synonyms

  • 8-(Methylthio)purine
  • 9H-Purine, 8-(methylthio)-
  • AI3-50268
  • NSC 24128
  • UNII-6I3KZE7926

Systematic Names

  • 1H-Purine, 8-(methylthio)- (9CI)
  • 9H-Purine, 8-(methylthio)-
  • Purine, 8-(methylthio)- (8CI)

Registry Numbers

CAS Registry Number

  • 33426-53-8

FDA UNII

  • 6I3KZE7926

System Generated Number

  • 0033426538

Structure Descriptors

InChI

1S/C6H6N4S/c1-11-6-9-4-2-7-3-8-5(4)10-6/h2-3H,1H3,(H,7,8,9,10)

InChIKey

OOUSHFSJKWPYDZ-UHFFFAOYSA-N

Smiles

[nH]1c(nc2c1ncnc2)SC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02422,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.320 (none)   EST
Water Solubility 1540 mg/L 20 EXP
Atmospheric OH Rate Constant 2.01E-10 cm3/molecule-sec 25 EST

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