2-(2-methylsulfanylpropyl)pyridine;oxalic acid;platinum

C11H15NO4PtS — CID 87206612

IUPAC2-(2-methylsulfanylpropyl)pyridine;oxalic acid;platinum
SMILESCSC(C)Cc1ccccn1.O=C(O)C(=O)O.[Pt]
InChIInChI=1S/C9H13NS.C2H2O4.Pt/c1-8(11-2)7-9-5-3-4-6-10-9;3-1(4)2(5)6;/h3-6,8H,7H2,1-2H3;(H,3,4)(H,5,6);
InChIKeyCLFMOFITGCLIGB-UHFFFAOYSA-N
MW452.39 g/mol
LogP1.53
Rot. Bonds3

About 2-(2-methylsulfanylpropyl)pyridine;oxalic acid;platinum

2-(2-methylsulfanylpropyl)pyridine;oxalic acid;platinum (PubChem CID 87206612) has the molecular formula C11H15NO4PtS and a molecular weight of 452.39 g/mol. Its IUPAC name is 2-(2-methylsulfanylpropyl)pyridine;oxalic acid;platinum.

Molecular Properties

Compound Name2-(2-methylsulfanylpropyl)pyridine;oxalic acid;platinum
PubChem CID87206612
Molecular FormulaC11H15NO4PtS
Molecular Weight452.39 g/mol
Exact Mass452.04
IUPAC Name2-(2-methylsulfanylpropyl)pyridine;oxalic acid;platinum
SMILESCSC(C)Cc1ccccn1.O=C(O)C(=O)O.[Pt]
InChIInChI=1S/C9H13NS.C2H2O4.Pt/c1-8(11-2)7-9-5-3-4-6-10-9;3-1(4)2(5)6;/h3-6,8H,7H2,1-2H3;(H,3,4)(H,5,6);
InChIKeyCLFMOFITGCLIGB-UHFFFAOYSA-N
XLogP1.53
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-2-nitroso-3-pyridin-2-ylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylpropyl)pyridine;oxalic acid;platinum?
The IUPAC name of 2-(2-methylsulfanylpropyl)pyridine;oxalic acid;platinum (CID 87206612) is 2-(2-methylsulfanylpropyl)pyridine;oxalic acid;platinum.
What is the SMILES notation for 2-(2-methylsulfanylpropyl)pyridine;oxalic acid;platinum?
The canonical SMILES for 2-(2-methylsulfanylpropyl)pyridine;oxalic acid;platinum is CSC(C)Cc1ccccn1.O=C(O)C(=O)O.[Pt].
What is the InChIKey of 2-(2-methylsulfanylpropyl)pyridine;oxalic acid;platinum?
The InChIKey is CLFMOFITGCLIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS.C2H2O4.Pt/c1-8(11-2)7-9-5-3-4-6-10-9;3-1(4)2(5)6;/h3-6,8H,7H2,1-2H3;(H,3,4)(H,5,6);.
What are the key properties of 2-(2-methylsulfanylpropyl)pyridine;oxalic acid;platinum?
2-(2-methylsulfanylpropyl)pyridine;oxalic acid;platinum has a molecular weight of 452.39 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylpropyl)pyridine;oxalic acid;platinum is sourced from PubChem (CID 87206612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).