copper;methylsulfinylmethane;diacetate

C6H12CuO5S — CID 163906451

IUPACcopper;methylsulfinylmethane;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CS(C)=O.[Cu+2]
InChIInChI=1S/2C2H4O2.C2H6OS.Cu/c2*1-2(3)4;1-4(2)3;/h2*1H3,(H,3,4);1-2H3;/q;;;+2/p-2
InChIKeyQOHYOOMPKQOJKK-UHFFFAOYSA-L
MW259.77 g/mol
LogP-2.50
Rot. Bonds

About copper;methylsulfinylmethane;diacetate

copper;methylsulfinylmethane;diacetate (PubChem CID 163906451) has the molecular formula C6H12CuO5S and a molecular weight of 259.77 g/mol. Its IUPAC name is copper;methylsulfinylmethane;diacetate.

Molecular Properties

Compound Namecopper;methylsulfinylmethane;diacetate
PubChem CID163906451
Molecular FormulaC6H12CuO5S
Molecular Weight259.77 g/mol
Exact Mass258.97
IUPAC Namecopper;methylsulfinylmethane;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CS(C)=O.[Cu+2]
InChIInChI=1S/2C2H4O2.C2H6OS.Cu/c2*1-2(3)4;1-4(2)3;/h2*1H3,(H,3,4);1-2H3;/q;;;+2/p-2
InChIKeyQOHYOOMPKQOJKK-UHFFFAOYSA-L
XLogP-2.50
TPSA97.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.77
LogP ≤ 5-2.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

sodium;methylsulfinylmethane;propan-2-one;acetate
CID 161163635
dicopper diacetate
CID 158276690
copper;diacetate;trihydrate
CID 161466720
dipotassium;hydrogen peroxide;methylsulfinylmethane;carbonate
CID 158046491
dicopper;ethane;methane;tetraacetate
CID 167657865
copper;iron(3+);diacetate;trichloride
CID 173400974
tricalcium diacetate
CID 19804487
manganese(3+) diacetate
CID 159209977
terbium(3+) acetate
CID 22482914
(indium(3+)) diacetate
CID 173450278
uranium(4+) tetraacetate
CID 51035191
CID 87243144
CID 87243144

Frequently Asked Questions

What is the IUPAC name of copper;methylsulfinylmethane;diacetate?
The IUPAC name of copper;methylsulfinylmethane;diacetate (CID 163906451) is copper;methylsulfinylmethane;diacetate.
What is the SMILES notation for copper;methylsulfinylmethane;diacetate?
The canonical SMILES for copper;methylsulfinylmethane;diacetate is CC(=O)[O-].CC(=O)[O-].CS(C)=O.[Cu+2].
What is the InChIKey of copper;methylsulfinylmethane;diacetate?
The InChIKey is QOHYOOMPKQOJKK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H4O2.C2H6OS.Cu/c2*1-2(3)4;1-4(2)3;/h2*1H3,(H,3,4);1-2H3;/q;;;+2/p-2.
What are the key properties of copper;methylsulfinylmethane;diacetate?
copper;methylsulfinylmethane;diacetate has a molecular weight of 259.77 g/mol, XLogP of -2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;methylsulfinylmethane;diacetate is sourced from PubChem (CID 163906451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).