Molecular Identity
2-Thiopurine
3,7-dihydropurine-2-thione
PubChem CID: 3015569
2D Structure
Properties
C5H4N4S
Molecular Formula
152.18
Molecular Weight
g/mol
152.0157
Exact Mass
Da
0.1
XLogP
Drug-like (Lipinski: < 5)
85.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
2
H-Bond Acceptors
190
Complexity
SMILES
Canonical SMILES
SMILES: C1=NC(=S)NC2=C1NC=N2Isomeric SMILES
SMILES: C1=NC(=S)NC2=C1NC=N2Synonyms(20)
2-Mercaptopurine28128-19-02-ThiopurinePurine-2-thiol1,3-Dihydro-2H-purine-2-thione2H-Purine-2-thione, 1,3-dihydro-purine-2-thioneEINECS 248-855-0NSC 23720NSC-2372081XK02929CPURINE-2(3H)-THIONEDTXSID608787672H-PURINE-2-THIONE, 3,9-DIHYDRO-RefChem:483804
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 2-Thiopurine
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