methylsulfanylmethane;bis((Z)-4-oxopent-2-en-2-olate);platinum(2+)

C12H20O4PtS — CID 24742045

IUPACmethylsulfanylmethane;bis((Z)-4-oxopent-2-en-2-olate);platinum(2+)
SMILESCC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CSC.[Pt+2]
InChIInChI=1S/2C5H8O2.C2H6S.Pt/c2*1-4(6)3-5(2)7;1-3-2;/h2*3,6H,1-2H3;1-2H3;/q;;;+2/p-2/b2*4-3-;;
InChIKeyQTGCKAXCFFJUEK-SUKNRPLKSA-L
MW455.43 g/mol
LogP0.66
Rot. Bonds2

About methylsulfanylmethane;bis((Z)-4-oxopent-2-en-2-olate);platinum(2+)

methylsulfanylmethane;bis((Z)-4-oxopent-2-en-2-olate);platinum(2+) (PubChem CID 24742045) has the molecular formula C12H20O4PtS and a molecular weight of 455.43 g/mol. Its IUPAC name is methylsulfanylmethane;bis((Z)-4-oxopent-2-en-2-olate);platinum(2+).

Molecular Properties

Compound Namemethylsulfanylmethane;bis((Z)-4-oxopent-2-en-2-olate);platinum(2+)
PubChem CID24742045
Molecular FormulaC12H20O4PtS
Molecular Weight455.43 g/mol
Exact Mass455.07
IUPAC Namemethylsulfanylmethane;bis((Z)-4-oxopent-2-en-2-olate);platinum(2+)
SMILESCC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CSC.[Pt+2]
InChIInChI=1S/2C5H8O2.C2H6S.Pt/c2*1-4(6)3-5(2)7;1-3-2;/h2*3,6H,1-2H3;1-2H3;/q;;;+2/p-2/b2*4-3-;;
InChIKeyQTGCKAXCFFJUEK-SUKNRPLKSA-L
XLogP0.66
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.43
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis((Z)-4-oxopent-2-en-2-olate);platinum(2+)
CID 5483736
tris((Z)-4-oxopent-2-en-2-olate);ytterbium(3+)
CID 14455610
osmium(2+);bis((Z)-4-oxopent-2-en-2-olate)
CID 22026952
tris((Z)-4-oxopent-2-en-2-olate);platinum
CID 173155948
indium(3+);tris(4-oxopent-2-en-2-olate)
CID 26667
gallium (Z)-4-oxopent-2-en-2-olate
CID 154828612
bis((Z)-4-oxopent-2-en-2-olate);palladium(2+)
CID 5486778
aluminum tris((E)-4-oxopent-2-en-2-olate)
CID 24884163
lanthanum(3+);tris((E)-4-oxopent-2-en-2-olate)
CID 53384561
gold(1+);(Z)-4-oxopent-2-en-2-olate
CID 18374019
tetrakis(4-oxopent-2-en-2-olate);thorium(4+)
CID 3035394
hexakis((E)-4-oxopent-2-en-2-olate);tris(titanium(4+));hexachloride
CID 170851983

Frequently Asked Questions

What is the IUPAC name of methylsulfanylmethane;bis((Z)-4-oxopent-2-en-2-olate);platinum(2+)?
The IUPAC name of methylsulfanylmethane;bis((Z)-4-oxopent-2-en-2-olate);platinum(2+) (CID 24742045) is methylsulfanylmethane;bis((Z)-4-oxopent-2-en-2-olate);platinum(2+).
What is the SMILES notation for methylsulfanylmethane;bis((Z)-4-oxopent-2-en-2-olate);platinum(2+)?
The canonical SMILES for methylsulfanylmethane;bis((Z)-4-oxopent-2-en-2-olate);platinum(2+) is CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CSC.[Pt+2].
What is the InChIKey of methylsulfanylmethane;bis((Z)-4-oxopent-2-en-2-olate);platinum(2+)?
The InChIKey is QTGCKAXCFFJUEK-SUKNRPLKSA-L. The full InChI is InChI=1S/2C5H8O2.C2H6S.Pt/c2*1-4(6)3-5(2)7;1-3-2;/h2*3,6H,1-2H3;1-2H3;/q;;;+2/p-2/b2*4-3-;;.
What are the key properties of methylsulfanylmethane;bis((Z)-4-oxopent-2-en-2-olate);platinum(2+)?
methylsulfanylmethane;bis((Z)-4-oxopent-2-en-2-olate);platinum(2+) has a molecular weight of 455.43 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylmethane;bis((Z)-4-oxopent-2-en-2-olate);platinum(2+) is sourced from PubChem (CID 24742045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).