3,7-dihydropurine-6-thione;platinum

C5H4N4PtS — CID 71358741

IUPAC3,7-dihydropurine-6-thione;platinum
SMILESS=c1nc[nH]c2nc[nH]c12.[Pt]
InChIInChI=1S/C5H4N4S.Pt/c10-5-3-4(7-1-6-3)8-2-9-5;/h1-2H,(H2,6,7,8,9,10);
InChIKeyNAJYNUNOFZLWCX-UHFFFAOYSA-N
MW347.26 g/mol
LogP1.01
Rot. Bonds

About 3,7-dihydropurine-6-thione;platinum

3,7-dihydropurine-6-thione;platinum (PubChem CID 71358741) has the molecular formula C5H4N4PtS and a molecular weight of 347.26 g/mol. Its IUPAC name is 3,7-dihydropurine-6-thione;platinum.

Molecular Properties

Compound Name3,7-dihydropurine-6-thione;platinum
PubChem CID71358741
Molecular FormulaC5H4N4PtS
Molecular Weight347.26 g/mol
Exact Mass346.98
IUPAC Name3,7-dihydropurine-6-thione;platinum
SMILESS=c1nc[nH]c2nc[nH]c12.[Pt]
InChIInChI=1S/C5H4N4S.Pt/c10-5-3-4(7-1-6-3)8-2-9-5;/h1-2H,(H2,6,7,8,9,10);
InChIKeyNAJYNUNOFZLWCX-UHFFFAOYSA-N
XLogP1.01
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,7-dihydropurine-6-thione;platinum?
The IUPAC name of 3,7-dihydropurine-6-thione;platinum (CID 71358741) is 3,7-dihydropurine-6-thione;platinum.
What is the SMILES notation for 3,7-dihydropurine-6-thione;platinum?
The canonical SMILES for 3,7-dihydropurine-6-thione;platinum is S=c1nc[nH]c2nc[nH]c12.[Pt].
What is the InChIKey of 3,7-dihydropurine-6-thione;platinum?
The InChIKey is NAJYNUNOFZLWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4S.Pt/c10-5-3-4(7-1-6-3)8-2-9-5;/h1-2H,(H2,6,7,8,9,10);.
What are the key properties of 3,7-dihydropurine-6-thione;platinum?
3,7-dihydropurine-6-thione;platinum has a molecular weight of 347.26 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydropurine-6-thione;platinum is sourced from PubChem (CID 71358741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).