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6-[(Phenylmethyl)Thio]-1H-Purine
[CAS# 724-34-5]

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Identification
Name 6-[(Phenylmethyl)Thio]-1H-Purine
Synonyms 6-(Phenylmethylthio)-7H-Purine; 6-(Benzylthio)-7H-Purine; Cbmicro_000185
Molecular Structure CAS#: 724-34-5, 6-[(Phenylmethyl)Thio]-1H-Purine
Molecular Formula C12H10N4S
Molecular Weight 242.30
CAS Registry Number 724-34-5
EINECS 211-965-4
SMILES C1=NC3=C(C(=N1)SCC2=CC=CC=C2)[NH]C=N3
InChI 1S/C12H10N4S/c1-2-4-9(5-3-1)6-17-12-10-11(14-7-13-10)15-8-16-12/h1-5,7-8H,6H2,(H,13,14,15,16)
InChIKey ULIQGBPQLPCTAJ-UHFFFAOYSA-N
Properties
Density 1.4g/cm3 (Cal.)
Boiling point 529.784°C at 760 mmHg (Cal.)
Flash point 274.204°C (Cal.)
Safety Data
SDS Available
References
(1) Ismat Fatima, Munawar Ali Munawar, Misbahul Ain Khan, Sohail Nadeem and Rana Amjad . 6-Benzylsulfanyl-9H-purine , Acta Cryst (2009). E65, o2994  
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