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6-(Hexylthio)-9H-Purine
[CAS# 37109-78-7]

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Identification
Name 6-(Hexylthio)-9H-Purine
Synonyms 6-(Hexylthio)-7H-Purine; 1H-Purine (9Ci), 6-(Hexylthio)-; 6-Hexylmercaptopurine
Molecular Structure CAS#: 37109-78-7, 6-(Hexylthio)-9H-Purine
Molecular Formula C11H16N4S
Molecular Weight 236.33
CAS Registry Number 37109-78-7
EINECS 253-352-4
SMILES C2=NC1=C(C(=NC=N1)SCCCCCC)[NH]2
InChI 1S/C11H16N4S/c1-2-3-4-5-6-16-11-9-10(13-7-12-9)14-8-15-11/h7-8H,2-6H2,1H3,(H,12,13,14,15)
InChIKey DPEYVWBFEYXFIT-UHFFFAOYSA-N
Properties
Density 1.213g/cm3 (Cal.)
Boiling point 466.817°C at 760 mmHg (Cal.)
Flash point 236.123°C (Cal.)
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