2-Chloro-8-(methylsulfanyl)-1H-purine | CAS No. 89581-80-6

2-Chloro-8-(methylsulfanyl)-1H-purine

Basic Information

CAS Number

89581-80-6

Molecular Formula

C6H5ClN4S

Molecular Weight

200.65 g/mol

AD

Basic Physical Properties

Boiling Point

345.4°C at 760 mmHg

CSC1=NC2=NC(=NC=C2N1)Cl

InChI

InChI=1S/C6H5ClN4S/c1-12-6-9-3-2-8-5(7)10-4(3)11-6/h2H,1H3,(H,8,9,10,11)

InChIKey

PAODHCXGZRFCRJ-UHFFFAOYSA-N

LogP

1.7281999999999997

Topological Polar Surface Area

54.46 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

170

Synonyms & References

English

  • 2-chloro-8-methylsulfanyl-7H-purine
  • PAODHCXGZRFCRJ-UHFFFAOYSA-N
  • A843235
  • 2-CHLORO-8-(METHYLTHIO)-7H-PURINE
  • 89581-80-6
  • 2-CHLORO-8-(METHYLSULFANYL)-7H-PURINE
  • DTXSID80671919
  • Methylthiochlorpurin
  • SCHEMBL15571871
  • AKOS015851272
  • FT-0646683
  • 2-Chloro-8-(methylthio)-7H-purine
  • 9H-Purine,2-chloro-8-(methylthio)-
  • 2-Chlor-8-methylmercapto-purin

MDL Number

MFCD11518941

Customs Code

2933990090

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