copper;methanedisulfonic acid

CH4CuO6S2 — CID 88584534

IUPACcopper;methanedisulfonic acid
SMILESO=S(=O)(O)CS(=O)(=O)O.[Cu]
InChIInChI=1S/CH4O6S2.Cu/c2-8(3,4)1-9(5,6)7;/h1H2,(H,2,3,4)(H,5,6,7);
InChIKeyMZDXVDXTGIUIKM-UHFFFAOYSA-N
MW239.72 g/mol
LogP-1.28
Rot. Bonds2

About copper;methanedisulfonic acid

copper;methanedisulfonic acid (PubChem CID 88584534) has the molecular formula CH4CuO6S2 and a molecular weight of 239.72 g/mol. Its IUPAC name is copper;methanedisulfonic acid.

Molecular Properties

Compound Namecopper;methanedisulfonic acid
PubChem CID88584534
Molecular FormulaCH4CuO6S2
Molecular Weight239.72 g/mol
Exact Mass238.87
IUPAC Namecopper;methanedisulfonic acid
SMILESO=S(=O)(O)CS(=O)(=O)O.[Cu]
InChIInChI=1S/CH4O6S2.Cu/c2-8(3,4)1-9(5,6)7;/h1H2,(H,2,3,4)(H,5,6,7);
InChIKeyMZDXVDXTGIUIKM-UHFFFAOYSA-N
XLogP-1.28
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.72
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 131856458
CID 131856458
barium(2+);methanedisulfonic acid
CID 54611525
magnesium;sodium;hydride;methanedisulfonic acid
CID 174744552
lithium;difluoroborinate;methanedisulfonic acid
CID 175553813
methane;methanedisulfonic acid;methanedisulfonyl chloride;hydrate
CID 160572260
sulfomethylsulfonylformic acid
CID 90953311
octane-1,8-disulfonic acid
CID 18172926
hydroxymethanesulfonic acid
CID 6411
hydroxymethanesulfonic acid
CID 162227916
phosphanyloxysulfonylmethanesulfonic acid
CID 122479772
pentane-1,5-disulfonic acid;hydrate
CID 133062445
ethanesulfonic acid;formic acid
CID 87503053

Frequently Asked Questions

What is the IUPAC name of copper;methanedisulfonic acid?
The IUPAC name of copper;methanedisulfonic acid (CID 88584534) is copper;methanedisulfonic acid.
What is the SMILES notation for copper;methanedisulfonic acid?
The canonical SMILES for copper;methanedisulfonic acid is O=S(=O)(O)CS(=O)(=O)O.[Cu].
What is the InChIKey of copper;methanedisulfonic acid?
The InChIKey is MZDXVDXTGIUIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O6S2.Cu/c2-8(3,4)1-9(5,6)7;/h1H2,(H,2,3,4)(H,5,6,7);.
What are the key properties of copper;methanedisulfonic acid?
copper;methanedisulfonic acid has a molecular weight of 239.72 g/mol, XLogP of -1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;methanedisulfonic acid is sourced from PubChem (CID 88584534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).