1-butyl-2-(methylsulfanylmethyl)imidazole;oxalate;platinum(2+)

C11H16N2O4PtS — CID 11340299

IUPAC1-butyl-2-(methylsulfanylmethyl)imidazole;oxalate;platinum(2+)
SMILESCCCCn1ccnc1CSC.O=C([O-])C(=O)[O-].[Pt+2]
InChIInChI=1S/C9H16N2S.C2H2O4.Pt/c1-3-4-6-11-7-5-10-9(11)8-12-2;3-1(4)2(5)6;/h5,7H,3-4,6,8H2,1-2H3;(H,3,4)(H,5,6);/q;;+2/p-2
InChIKeyAJKNWAJLFKRVJN-UHFFFAOYSA-L
MW467.40 g/mol
LogP-0.97
Rot. Bonds5

About 1-butyl-2-(methylsulfanylmethyl)imidazole;oxalate;platinum(2+)

1-butyl-2-(methylsulfanylmethyl)imidazole;oxalate;platinum(2+) (PubChem CID 11340299) has the molecular formula C11H16N2O4PtS and a molecular weight of 467.40 g/mol. Its IUPAC name is 1-butyl-2-(methylsulfanylmethyl)imidazole;oxalate;platinum(2+).

Molecular Properties

Compound Name1-butyl-2-(methylsulfanylmethyl)imidazole;oxalate;platinum(2+)
PubChem CID11340299
Molecular FormulaC11H16N2O4PtS
Molecular Weight467.40 g/mol
Exact Mass467.05
IUPAC Name1-butyl-2-(methylsulfanylmethyl)imidazole;oxalate;platinum(2+)
SMILESCCCCn1ccnc1CSC.O=C([O-])C(=O)[O-].[Pt+2]
InChIInChI=1S/C9H16N2S.C2H2O4.Pt/c1-3-4-6-11-7-5-10-9(11)8-12-2;3-1(4)2(5)6;/h5,7H,3-4,6,8H2,1-2H3;(H,3,4)(H,5,6);/q;;+2/p-2
InChIKeyAJKNWAJLFKRVJN-UHFFFAOYSA-L
XLogP-0.97
TPSA98.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.40
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(methylsulfanylmethyl)imidazole;oxalate;platinum(2+)?
The IUPAC name of 1-butyl-2-(methylsulfanylmethyl)imidazole;oxalate;platinum(2+) (CID 11340299) is 1-butyl-2-(methylsulfanylmethyl)imidazole;oxalate;platinum(2+).
What is the SMILES notation for 1-butyl-2-(methylsulfanylmethyl)imidazole;oxalate;platinum(2+)?
The canonical SMILES for 1-butyl-2-(methylsulfanylmethyl)imidazole;oxalate;platinum(2+) is CCCCn1ccnc1CSC.O=C([O-])C(=O)[O-].[Pt+2].
What is the InChIKey of 1-butyl-2-(methylsulfanylmethyl)imidazole;oxalate;platinum(2+)?
The InChIKey is AJKNWAJLFKRVJN-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H16N2S.C2H2O4.Pt/c1-3-4-6-11-7-5-10-9(11)8-12-2;3-1(4)2(5)6;/h5,7H,3-4,6,8H2,1-2H3;(H,3,4)(H,5,6);/q;;+2/p-2.
What are the key properties of 1-butyl-2-(methylsulfanylmethyl)imidazole;oxalate;platinum(2+)?
1-butyl-2-(methylsulfanylmethyl)imidazole;oxalate;platinum(2+) has a molecular weight of 467.40 g/mol, XLogP of -0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(methylsulfanylmethyl)imidazole;oxalate;platinum(2+) is sourced from PubChem (CID 11340299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).