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Substance Name: 1,2,3,5-Tetrahydro-7-methyl-2-thioxopteridin-4,6-dione
RN: 6967-57-3
InChIKey: ASXQSQWURKMTJE-UHFFFAOYSA-N

Molecular Formula

  • C7-H6-N4-O2-S

Molecular Weight

  • 210.2164
 
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Names and Synonyms

Synonyms

  • EINECS 230-180-8
  • NSC 67306

Systematic Name

  • 1,2,3,5-Tetrahydro-7-methyl-2-thioxopteridin-4,6-dione

Registry Numbers

CAS Registry Number

  • 6967-57-3

System Generated Number

  • 0006967573

Structure Descriptors

InChI

1S/C7H6N4O2S/c1-2-5(12)9-3-4(8-2)10-7(14)11-6(3)13/h1H3,(H,9,12)(H2,8,10,11,13,14)

InChIKey

ASXQSQWURKMTJE-UHFFFAOYSA-N

Smiles

Cc1c(=O)[nH]c2c(n1)[nH]c(=S)[nH]c2=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.310 (none)   EST
Water Solubility 800 mg/L   EXP
Atmospheric OH Rate Constant 8.28E-11 cm3/molecule-sec 25 EST

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