6-Mercaptopurine monohydrate

About This Item

Molecular Formula	C₅H₆N₄OS
CAS Number	6112-76-1

FC-0718055

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Properties

Chemical Identifiers

IUPAC Name	3,7-dihydropurine-6-thione;hydrate
SMILES	C1=NC2=C(N1)C(=S)N=CN2.O
InChI Key	WFFQYWAAEWLHJC-UHFFFAOYSA-N
InChI	InChI=1S/C5H4N4S.H2O/c10-5-3-4(7-1-6-3)8-2-9-5;/h1-2H,(H2,6,7,8,9,10);1H2

Physical Properties

Boiling Point	490.6ºC at 760 mmHg
Melting Point	586 °F (decomposes) (NTP, 1992)
Flash Point	250.5ºC

Safety Information

Hazard Class

Danger

Flash Point

250.5ºC

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.