Chemical Properties of 6-Thioxanthine (CAS 2002-59-7)

6-Thioxanthine

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InChI
InChI=1S/C5H4N4OS/c10-5-8-3-2(4(11)9-5)6-1-7-3/h1H,(H3,6,7,8,9,10,11)
InChI Key
RJOXFJDOUQJOMQ-UHFFFAOYSA-N
Formula
C5H4N4OS
SMILES
O=c1[nH]c(=S)c2nc[nH]c2[nH]1
Molecular Weight1
168.18
CAS
2002-59-7
Other Names
  • 2H-Purin-2-one, 1,3,6,7-tetrahydro-6-thioxo-
  • 2-Hydroxy-6-mercaptopurine
  • 2-Hydroxy-6-thiopurine
  • 3,6-Dihydro-6-thioxo-9H-purine-2(1H)-one
  • 6-Mercaptoxanthine
  • Xanthine, 6-thio-
  • Imidazolo[4, 5-d]pyrimidin-6(5H)-one, 4, 7-dihydro-4-thione-
  • 6-Thioxo-1,3,6,7-tetrahydro-purin-2-one
  • Purin-2-ol, 6-mercapto (keto form)
  • NSC 12160
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Physical Properties

Property Value Unit Source
log10WS -0.97 Crippen Calculated Property
logPoct/wat -1.137 Crippen Calculated Property
McVol 104.530 ml/mol McGowan Calculated Property

Similar Compounds

2,6-Dihydroxy-7-methylpurine. 6H-Purine-6-thione, 1,9-dihydro-9-methyl-. 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-. 9H-purine-9-acetamide, 1,6-dihydro-6-thioxo-. 9H-purine-9-acetic acid, 6(1h)-thio-, ethyl ester. Theobromine. Urea, 1-methyl, 3-[9h-purin-6-ylaminoethyl]-. Etamiphyllin. Xanthine, 7-(5'-oxohexyl)-3-methyl-1-propyl. Hypoxanthine, 7-alpha-d-arabinofuranosyl-. Purine-6(1h)-thione, 1-cyclopentyl-. Adenine, 1-benzyl-9-cyclopentyl-. C31-Aetio-porphyrin, Si-(OTMS)2-derivative. 1-(6'-oxoheptyl)-3,7-dimethylxanthine. 1«beta»-Acetoxyfuranoeudesm-4(15)-ene.

Find more compounds similar to 6-Thioxanthine.

Sources

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