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Home >> Chemical Listing >> Page 1794 >> 6-(Phenylthio)Purine

6-(Phenylthio)Purine
[CAS# 5450-35-1]

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Identification
Name 6-(Phenylthio)Purine
Synonyms 6-(Phenylthio)-7H-Purine; 1H-Purine, 6-(Phenylthio)-; 4-26-00-01985 (Beilstein Handbook Reference)
Molecular Structure CAS#: 5450-35-1, 6-(Phenylthio)Purine
Molecular Formula C11H8N4S
Molecular Weight 228.27
CAS Registry Number 5450-35-1
SMILES C3=NC1=C(C(=NC=N1)SC2=CC=CC=C2)[NH]3
InChI 1S/C11H8N4S/c1-2-4-8(5-3-1)16-11-9-10(13-6-12-9)14-7-15-11/h1-7H,(H,12,13,14,15)
InChIKey CTDPZFBZKUUAED-UHFFFAOYSA-N
Properties
Density 1.457g/cm3 (Cal.)
Boiling point 527.089°C at 760 mmHg (Cal.)
Flash point 272.574°C (Cal.)
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