copper;methyl hydrogen sulfate

CH4CuO4S — CID 175275891

IUPACcopper;methyl hydrogen sulfate
SMILESCOS(=O)(=O)O.[Cu]
InChIInChI=1S/CH4O4S.Cu/c1-5-6(2,3)4;/h1H3,(H,2,3,4);
InChIKeyLEUUONOHVSJQCR-UHFFFAOYSA-N
MW175.65 g/mol
LogP-0.57
Rot. Bonds1

About copper;methyl hydrogen sulfate

copper;methyl hydrogen sulfate (PubChem CID 175275891) has the molecular formula CH4CuO4S and a molecular weight of 175.65 g/mol. Its IUPAC name is copper;methyl hydrogen sulfate.

Molecular Properties

Compound Namecopper;methyl hydrogen sulfate
PubChem CID175275891
Molecular FormulaCH4CuO4S
Molecular Weight175.65 g/mol
Exact Mass174.91
IUPAC Namecopper;methyl hydrogen sulfate
SMILESCOS(=O)(=O)O.[Cu]
InChIInChI=1S/CH4O4S.Cu/c1-5-6(2,3)4;/h1H3,(H,2,3,4);
InChIKeyLEUUONOHVSJQCR-UHFFFAOYSA-N
XLogP-0.57
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.65
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

methyl hydrogen sulfate;hydrobromide
CID 87338714
azane;ethene;methyl hydrogen sulfate
CID 175445348
methyl hydrogen sulfate;oxalic acid
CID 88784416
methyl hydrogen sulfate;oxalonitrile
CID 161128067
N-ethylethanamine;methyl hydrogen sulfate
CID 88690329
methyl hydrogen sulfate;2,2,2-trifluoroacetic acid
CID 172730808
(hydroxysulfonimidoyl)oxymethane
CID 58683502
methyl hydrogen sulfate;pyrimidine
CID 173117668
N,N-diethoxymethanamine;methyl hydrogen sulfate
CID 173043351
methyl hydrogen sulfate;bis(pyridine);hydroiodide
CID 174832701
methyl hydrogen sulfate;pyridin-1-ium;hydroxide
CID 172757118
2-(methylamino)ethanol;methyl hydrogen sulfate
CID 86001680

Frequently Asked Questions

What is the IUPAC name of copper;methyl hydrogen sulfate?
The IUPAC name of copper;methyl hydrogen sulfate (CID 175275891) is copper;methyl hydrogen sulfate.
What is the SMILES notation for copper;methyl hydrogen sulfate?
The canonical SMILES for copper;methyl hydrogen sulfate is COS(=O)(=O)O.[Cu].
What is the InChIKey of copper;methyl hydrogen sulfate?
The InChIKey is LEUUONOHVSJQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O4S.Cu/c1-5-6(2,3)4;/h1H3,(H,2,3,4);.
What are the key properties of copper;methyl hydrogen sulfate?
copper;methyl hydrogen sulfate has a molecular weight of 175.65 g/mol, XLogP of -0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;methyl hydrogen sulfate is sourced from PubChem (CID 175275891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).