methane;sulfuric acid

C4H20O8S2 — CID 174865737

IUPACmethane;sulfuric acid
SMILESC.C.C.C.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/4CH4.2H2O4S/c;;;;2*1-5(2,3)4/h4*1H4;2*(H2,1,2,3,4)
InChIKeyAJVAWCMBCJSSJI-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.24
Rot. Bonds

About methane;sulfuric acid

methane;sulfuric acid (PubChem CID 174865737) has the molecular formula C4H20O8S2 and a molecular weight of 260.33 g/mol. Its IUPAC name is methane;sulfuric acid.

Molecular Properties

Compound Namemethane;sulfuric acid
PubChem CID174865737
Molecular FormulaC4H20O8S2
Molecular Weight260.33 g/mol
Exact Mass260.06
IUPAC Namemethane;sulfuric acid
SMILESC.C.C.C.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/4CH4.2H2O4S/c;;;;2*1-5(2,3)4/h4*1H4;2*(H2,1,2,3,4)
InChIKeyAJVAWCMBCJSSJI-UHFFFAOYSA-N
XLogP1.24
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methane;sulfuric acid;hydrate
CID 174518914
methane;sulfuric acid;zirconium
CID 174991893
azane;methane;sulfuric acid
CID 174862240
sulfuric acid;trihydrochloride
CID 21419907
CID 131843239
CID 131843239
azane;sulfuric acid
CID 173165368
CID 173151388
CID 173151388
CID 173398648
CID 173398648
sulfuric acid;titanium
CID 22253908
bismuthane;sulfuric acid
CID 174861750
(barium(2+));sulfuric acid
CID 173434226
alumane;sulfuric acid
CID 173042837

Frequently Asked Questions

What is the IUPAC name of methane;sulfuric acid?
The IUPAC name of methane;sulfuric acid (CID 174865737) is methane;sulfuric acid.
What is the SMILES notation for methane;sulfuric acid?
The canonical SMILES for methane;sulfuric acid is C.C.C.C.O=S(=O)(O)O.O=S(=O)(O)O.
What is the InChIKey of methane;sulfuric acid?
The InChIKey is AJVAWCMBCJSSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/4CH4.2H2O4S/c;;;;2*1-5(2,3)4/h4*1H4;2*(H2,1,2,3,4).
What are the key properties of methane;sulfuric acid?
methane;sulfuric acid has a molecular weight of 260.33 g/mol, XLogP of 1.24, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;sulfuric acid is sourced from PubChem (CID 174865737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).