8-[(3-nitrophenyl)methylsulfanyl]-5H-purin-6-amine

Modify Date: 2025-08-26 18:27:45

8-[(3-nitrophenyl)methylsulfanyl]-5H-purin-6-amine Structure
8-[(3-nitrophenyl)methylsulfanyl]-5H-purin-6-amine structure
Common Name 8-[(3-nitrophenyl)methylsulfanyl]-5H-purin-6-amine
CAS Number 21318-76-3 Molecular Weight 302.31200
Density 1.71g/cm3 Boiling Point 530.4ºC at 760 mmHg
Molecular Formula C12H10N6O2S Melting Point N/A
MSDS N/A Flash Point 274.6ºC

 Names

Name 8-[(3-nitrophenyl)methylsulfanyl]-7H-purin-6-amine

 Chemical & Physical Properties

Density 1.71g/cm3
Boiling Point 530.4ºC at 760 mmHg
Molecular Formula C12H10N6O2S
Molecular Weight 302.31200
Flash Point 274.6ºC
Exact Mass 302.05900
PSA 151.60000
LogP 3.24000
Vapour Pressure 2.48E-11mmHg at 25°C
Index of Refraction 1.839
InChIKey TXTBQZRAHBLYFJ-UHFFFAOYSA-N
SMILES Nc1ncnc2nc(SCc3cccc([N+](=O)[O-])c3)[nH]c12
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