bis(3,7-dihydropurin-1-ium-6-thione);platinum

C10H10N8PtS2+2 — CID 22833915

IUPACbis(3,7-dihydropurin-1-ium-6-thione);platinum
SMILESS=c1[nH+]c[nH]c2nc[nH]c12.S=c1[nH+]c[nH]c2nc[nH]c12.[Pt]
InChIInChI=1S/2C5H4N4S.Pt/c2*10-5-3-4(7-1-6-3)8-2-9-5;/h2*1-2H,(H2,6,7,8,9,10);/p+2
InChIKeyFOPCKIQFUCSTDG-UHFFFAOYSA-P
MW501.46 g/mol
LogP0.87
Rot. Bonds

About bis(3,7-dihydropurin-1-ium-6-thione);platinum

bis(3,7-dihydropurin-1-ium-6-thione);platinum (PubChem CID 22833915) has the molecular formula C10H10N8PtS2+2 and a molecular weight of 501.46 g/mol. Its IUPAC name is bis(3,7-dihydropurin-1-ium-6-thione);platinum.

Molecular Properties

Compound Namebis(3,7-dihydropurin-1-ium-6-thione);platinum
PubChem CID22833915
Molecular FormulaC10H10N8PtS2+2
Molecular Weight501.46 g/mol
Exact Mass501.01
IUPAC Namebis(3,7-dihydropurin-1-ium-6-thione);platinum
SMILESS=c1[nH+]c[nH]c2nc[nH]c12.S=c1[nH+]c[nH]c2nc[nH]c12.[Pt]
InChIInChI=1S/2C5H4N4S.Pt/c2*10-5-3-4(7-1-6-3)8-2-9-5;/h2*1-2H,(H2,6,7,8,9,10);/p+2
InChIKeyFOPCKIQFUCSTDG-UHFFFAOYSA-P
XLogP0.87
TPSA117.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.46
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cobalt(2+);tetrakis(3,7-dihydropurin-1-ium-6-thione)
CID 22834093
3,7-dihydropurin-1-ium-6-thione;(4-methoxyphenyl)mercury(1+)
CID 50912126
3,7-dihydropurine-6-thione;platinum
CID 71358741
2-amino-3,7-dihydropurine-6-thione
CID 156593677
2-(ethylamino)-3,7-dihydropurine-6-thione
CID 4995062
1-butyl-2-sulfanylidene-3,7-dihydropurin-6-one
CID 70978515
2-(hydroxyamino)-3,7-dihydropurine-6-thione
CID 3036492
5,8-dichloro-1H-quinazoline-4-thione
CID 107051749
2-(propan-2-ylamino)-3,7-dihydropurine-6-thione
CID 134817853
1-cyclopropyl-3,7-dihydropurine-2,6-dithione
CID 140997962
3,7-dihydropurine-2-thione
CID 3015569
methyl 2-(6-sulfanylidene-3,7-dihydropurin-2-yl)acetate
CID 67767927

Frequently Asked Questions

What is the IUPAC name of bis(3,7-dihydropurin-1-ium-6-thione);platinum?
The IUPAC name of bis(3,7-dihydropurin-1-ium-6-thione);platinum (CID 22833915) is bis(3,7-dihydropurin-1-ium-6-thione);platinum.
What is the SMILES notation for bis(3,7-dihydropurin-1-ium-6-thione);platinum?
The canonical SMILES for bis(3,7-dihydropurin-1-ium-6-thione);platinum is S=c1[nH+]c[nH]c2nc[nH]c12.S=c1[nH+]c[nH]c2nc[nH]c12.[Pt].
What is the InChIKey of bis(3,7-dihydropurin-1-ium-6-thione);platinum?
The InChIKey is FOPCKIQFUCSTDG-UHFFFAOYSA-P. The full InChI is InChI=1S/2C5H4N4S.Pt/c2*10-5-3-4(7-1-6-3)8-2-9-5;/h2*1-2H,(H2,6,7,8,9,10);/p+2.
What are the key properties of bis(3,7-dihydropurin-1-ium-6-thione);platinum?
bis(3,7-dihydropurin-1-ium-6-thione);platinum has a molecular weight of 501.46 g/mol, XLogP of 0.87, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,7-dihydropurin-1-ium-6-thione);platinum is sourced from PubChem (CID 22833915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).