platinum(2+);6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine-2-carbothioate

C17H10N2O3PtS — CID 58709124

IUPACplatinum(2+);6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine-2-carbothioate
SMILESO=C([S-])c1cccc(Oc2[c-]c(Oc3ccccn3)ccc2)n1.[Pt+2]
InChIInChI=1S/C17H11N2O3S.Pt/c20-17(23)14-7-4-9-16(19-14)22-13-6-3-5-12(11-13)21-15-8-1-2-10-18-15;/h1-10H,(H,20,23);/q-1;+2/p-1
InChIKeyXAMUBZLSZHMGDR-UHFFFAOYSA-M
MW517.42 g/mol
LogP3.55
Rot. Bonds5

About platinum(2+);6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine-2-carbothioate

platinum(2+);6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine-2-carbothioate (PubChem CID 58709124) has the molecular formula C17H10N2O3PtS and a molecular weight of 517.42 g/mol. Its IUPAC name is platinum(2+);6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine-2-carbothioate.

Molecular Properties

Compound Nameplatinum(2+);6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine-2-carbothioate
PubChem CID58709124
Molecular FormulaC17H10N2O3PtS
Molecular Weight517.42 g/mol
Exact Mass517.01
IUPAC Nameplatinum(2+);6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine-2-carbothioate
SMILESO=C([S-])c1cccc(Oc2[c-]c(Oc3ccccn3)ccc2)n1.[Pt+2]
InChIInChI=1S/C17H11N2O3S.Pt/c20-17(23)14-7-4-9-16(19-14)22-13-6-3-5-12(11-13)21-15-8-1-2-10-18-15;/h1-10H,(H,20,23);/q-1;+2/p-1
InChIKeyXAMUBZLSZHMGDR-UHFFFAOYSA-M
XLogP3.55
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

iridium(3+);2-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-6-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine
CID 140597838
platinum;6-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)propan-2-yl]pyridine-2-carboxylic acid
CID 58709003
1-[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]propane-1,2-dione
CID 67475111
ethanone;palladium;palladium(2+);2-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine;2-[3-(3-pyridin-2-yloxyphenoxy)phenoxy]pyridine
CID 159087570
zinc bis(pyridine-2-carbothioate)
CID 118879777
platinum(2+);2-[(8-pyridin-2-yloxy-1,9-dihydrodibenzothiophene-1,9-diid-2-yl)oxy]pyridine
CID 153433348
iridium(3+);2-(5-methylpyrazol-2-id-3-yl)-6-[3-[[6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-2-pyridinyl]oxy]benzene-2-id-1-yl]oxypyridine
CID 140597831
5-(3-deuterio-2-pyridinyl)-3-(3-pyridin-2-yloxybenzene-2-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+)
CID 153421242
5-(5-deuterio-2-pyridinyl)-3-(3-pyridin-2-yloxybenzene-2-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide;platinum(2+)
CID 153421804
phenyl-[3-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)propan-2-yl]pyrazol-1-yl]methanone;platinum(2+)
CID 58709094
9-phenyl-3,6-dipyridin-2-yloxy-4,5-dihydrocarbazole-4,5-diide;platinum(2+)
CID 153433511
2-methyl-6-[3-[(6-methyl-2-pyridinyl)oxy]-5-pyridin-2-yloxyphenoxy]pyridine
CID 146608885

Frequently Asked Questions

What is the IUPAC name of platinum(2+);6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine-2-carbothioate?
The IUPAC name of platinum(2+);6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine-2-carbothioate (CID 58709124) is platinum(2+);6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine-2-carbothioate.
What is the SMILES notation for platinum(2+);6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine-2-carbothioate?
The canonical SMILES for platinum(2+);6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine-2-carbothioate is O=C([S-])c1cccc(Oc2[c-]c(Oc3ccccn3)ccc2)n1.[Pt+2].
What is the InChIKey of platinum(2+);6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine-2-carbothioate?
The InChIKey is XAMUBZLSZHMGDR-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H11N2O3S.Pt/c20-17(23)14-7-4-9-16(19-14)22-13-6-3-5-12(11-13)21-15-8-1-2-10-18-15;/h1-10H,(H,20,23);/q-1;+2/p-1.
What are the key properties of platinum(2+);6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine-2-carbothioate?
platinum(2+);6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine-2-carbothioate has a molecular weight of 517.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxypyridine-2-carbothioate is sourced from PubChem (CID 58709124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).