6-Mercaptopurine monohydrate
CAS Registry Number®
6112-76-1
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CAS Name
6-Mercaptopurine monohydrateMolecular Formula
C5H4N4S.H2OCite this Page
6-Mercaptopurine monohydrate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6112-76-1 (retrieved ) (CAS RN: 6112-76-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
313-315 °C (decomp)
Source(s)
Other Names and Identifiers
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
InChIKey
InChIKey=WFFQYWAAEWLHJC-UHFFFAOYSA-N
SMILES
S=C1C2=C(NC=N1)N=CN2.O
Canonical SMILES
S=C1N=CNC=2N=CNC12.O
Other Names for this Substance
- 6H-Purine-6-thione, 1,9-dihydro-, hydrate (1:1)
- Purine-6-thiol, monohydrate
- 6H-Purine-6-thione, 1,7-dihydro-, monohydrate
- 6-Mercaptopurine monohydrate
- 9H-Purine-6-thiol hydrate
