dicopper;tetrakis(4-iodobenzoate);methylsulfinylmethane

C32H28Cu2I4O10S2 — CID 139196838

IUPACdicopper;tetrakis(4-iodobenzoate);methylsulfinylmethane
SMILESCS(C)=O.CS(C)=O.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.[Cu+2].[Cu+2]
InChIInChI=1S/4C7H5IO2.2C2H6OS.2Cu/c4*8-6-3-1-5(2-4-6)7(9)10;2*1-4(2)3;;/h4*1-4H,(H,9,10);2*1-2H3;;/q;;;;;;2*+2/p-4
InChIKeyFYRXAHNFGMCODQ-UHFFFAOYSA-J
MW1271.41 g/mol
LogP2.60
Rot. Bonds4

About dicopper;tetrakis(4-iodobenzoate);methylsulfinylmethane

dicopper;tetrakis(4-iodobenzoate);methylsulfinylmethane (PubChem CID 139196838) has the molecular formula C32H28Cu2I4O10S2 and a molecular weight of 1271.41 g/mol. Its IUPAC name is dicopper;tetrakis(4-iodobenzoate);methylsulfinylmethane.

Molecular Properties

Compound Namedicopper;tetrakis(4-iodobenzoate);methylsulfinylmethane
PubChem CID139196838
Molecular FormulaC32H28Cu2I4O10S2
Molecular Weight1271.41 g/mol
Exact Mass1269.59
IUPAC Namedicopper;tetrakis(4-iodobenzoate);methylsulfinylmethane
SMILESCS(C)=O.CS(C)=O.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.[Cu+2].[Cu+2]
InChIInChI=1S/4C7H5IO2.2C2H6OS.2Cu/c4*8-6-3-1-5(2-4-6)7(9)10;2*1-4(2)3;;/h4*1-4H,(H,9,10);2*1-2H3;;/q;;;;;;2*+2/p-4
InChIKeyFYRXAHNFGMCODQ-UHFFFAOYSA-J
XLogP2.60
TPSA194.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001271.41
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

Dicopper;tetrakis(4-ethylbenzoate);methylsulfinylmethane
CID 139052599
Dicopper;methylsulfinylmethane;tetrabenzoate
CID 139113899
Dicopper;tetrakis(2-iodobenzoate);methanol
CID 139183211
dicopper;bis(N,N-dimethylformamide);tetrakis(3-iodobenzoate)
CID 139194735
Dicopper;tetrakis(3-iodobenzoate);methanol
CID 139196835
Dicopper;tetrakis(4-iodobenzoate);bis(propan-2-one)
CID 139196837
Dicopper;ethanol;tetrakis(4-iodobenzoate)
CID 139196839
Diaquatetrakis(2,3,5-triiodobenzoato-kappa^2^O:O')dicopper(II)(Cu-Cu) bis(methanol-kappaO)tetrakis(2,3,5-triiodobenzoato-kappa^2^O:O')dicopper(II)(Cu-Cu) methanol disolvate
CID 168309306
Tetrakis(mu-2-iodobenzoato-kappa^2^O:O')bis[aquacopper(II)]
CID 168310170
Benzoic acid;copper
CID 435927
CID 18961546
CID 18961546
Tris[(4-iodobenzoyl)oxy]stannyl 4-iodobenzoate
CID 141550922

Frequently Asked Questions

What is the IUPAC name of dicopper;tetrakis(4-iodobenzoate);methylsulfinylmethane?
The IUPAC name of dicopper;tetrakis(4-iodobenzoate);methylsulfinylmethane (CID 139196838) is dicopper;tetrakis(4-iodobenzoate);methylsulfinylmethane.
What is the SMILES notation for dicopper;tetrakis(4-iodobenzoate);methylsulfinylmethane?
The canonical SMILES for dicopper;tetrakis(4-iodobenzoate);methylsulfinylmethane is CS(C)=O.CS(C)=O.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;tetrakis(4-iodobenzoate);methylsulfinylmethane?
The InChIKey is FYRXAHNFGMCODQ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H5IO2.2C2H6OS.2Cu/c4*8-6-3-1-5(2-4-6)7(9)10;2*1-4(2)3;;/h4*1-4H,(H,9,10);2*1-2H3;;/q;;;;;;2*+2/p-4.
What are the key properties of dicopper;tetrakis(4-iodobenzoate);methylsulfinylmethane?
dicopper;tetrakis(4-iodobenzoate);methylsulfinylmethane has a molecular weight of 1271.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;tetrakis(4-iodobenzoate);methylsulfinylmethane is sourced from PubChem (CID 139196838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).