methane;sulfuric acid;zirconium

CH6O4SZr — CID 174991893

IUPACmethane;sulfuric acid;zirconium
SMILESC.O=S(=O)(O)O.[Zr]
InChIInChI=1S/CH4.H2O4S.Zr/c;1-5(2,3)4;/h1H4;(H2,1,2,3,4);
InChIKeyFXXIWBGJWCRKSK-UHFFFAOYSA-N
MW205.35 g/mol
LogP-0.02
Rot. Bonds

About methane;sulfuric acid;zirconium

methane;sulfuric acid;zirconium (PubChem CID 174991893) has the molecular formula CH6O4SZr and a molecular weight of 205.35 g/mol. Its IUPAC name is methane;sulfuric acid;zirconium.

Molecular Properties

Compound Namemethane;sulfuric acid;zirconium
PubChem CID174991893
Molecular FormulaCH6O4SZr
Molecular Weight205.35 g/mol
Exact Mass203.90
IUPAC Namemethane;sulfuric acid;zirconium
SMILESC.O=S(=O)(O)O.[Zr]
InChIInChI=1S/CH4.H2O4S.Zr/c;1-5(2,3)4;/h1H4;(H2,1,2,3,4);
InChIKeyFXXIWBGJWCRKSK-UHFFFAOYSA-N
XLogP-0.02
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;sulfuric acid;zirconium?
The IUPAC name of methane;sulfuric acid;zirconium (CID 174991893) is methane;sulfuric acid;zirconium.
What is the SMILES notation for methane;sulfuric acid;zirconium?
The canonical SMILES for methane;sulfuric acid;zirconium is C.O=S(=O)(O)O.[Zr].
What is the InChIKey of methane;sulfuric acid;zirconium?
The InChIKey is FXXIWBGJWCRKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4.H2O4S.Zr/c;1-5(2,3)4;/h1H4;(H2,1,2,3,4);.
What are the key properties of methane;sulfuric acid;zirconium?
methane;sulfuric acid;zirconium has a molecular weight of 205.35 g/mol, XLogP of -0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;sulfuric acid;zirconium is sourced from PubChem (CID 174991893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).