Chem
J-GLOBAL ID：200907043538759784   Nikkaji number：J39.664H

2-Thioxanthine

2-チオキサンチン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C5H4N4OS
Molecular formula furigana： C5-H4-N4-O-S
Molecular weight： 168.170
InChI： InChI=1S/C5H4N4OS/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
InChI key： XNHFAGRBSMMFKL-UHFFFAOYSA-N
SMILES： Oc1[nH]c(S)nc2ncnc12
Systematic name  (16)：
  • 2-メルカプト-1H-プリン-6-オール
  • 1,2,3,7-テトラヒドロ-2-チオキソ-6H-プリン-6-オン
  • 2-メルカプト-9H-プリン-6-オール
  • 2-メルカプト-7H-プリン-6(3H)-オン
  • 2-メルカプト-9H-プリン-6(1H)-オン
Show all
Other name (16)：
  • 2-Mercapto-1H-purin-6-ol
  • 2-Thioxanthine
  • 2-チオキサンチン
  • 1,2,3,7-Tetrahydro-2-thioxo-6H-purin-6-one
  • 2-Mercapto-9H-purine-6-ol
Show all
CAS registry number： 2487-40-3
Regulation number (4)：
  • (5)-1135
  • UP0825000
  • EINECS2196367
  • TSCA(2487-40-3)
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