methane;methanesulfonic acid

C2H8O3S — CID 87535456

IUPACmethane;methanesulfonic acid
SMILESC.CS(=O)(=O)O
InChIInChI=1S/CH4O3S.CH4/c1-5(2,3)4;/h1H3,(H,2,3,4);1H4
InChIKeyQEIDSSLUKKFBCE-UHFFFAOYSA-N
MW112.15 g/mol
LogP0.14
Rot. Bonds

About methane;methanesulfonic acid

methane;methanesulfonic acid (PubChem CID 87535456) has the molecular formula C2H8O3S and a molecular weight of 112.15 g/mol. Its IUPAC name is methane;methanesulfonic acid.

Molecular Properties

Compound Namemethane;methanesulfonic acid
PubChem CID87535456
Molecular FormulaC2H8O3S
Molecular Weight112.15 g/mol
Exact Mass112.02
IUPAC Namemethane;methanesulfonic acid
SMILESC.CS(=O)(=O)O
InChIInChI=1S/CH4O3S.CH4/c1-5(2,3)4;/h1H3,(H,2,3,4);1H4
InChIKeyQEIDSSLUKKFBCE-UHFFFAOYSA-N
XLogP0.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.15
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 87129852
CID 87129852
hydron;methanesulfonic acid
CID 19767432
methanesulfonic acid;hydrate
CID 87278985
methanesulfonic acid;stibane
CID 173129060
ethane;methanesulfonic acid
CID 87194848
CID 72786756
CID 72786756
methanesulfonic acid;hydrate;hydrochloride
CID 140967673
sodium;methanesulfonic acid;iodide
CID 87541742
methanesulfonic acid;yttrium;hydrofluoride
CID 174922283
azane;methanesulfonic acid;hydrate
CID 141152760
methanesulfonic acid;samarium(3+);trifluoride
CID 160663065
hafnium;methanesulfonic acid;hydrofluoride
CID 174915854

Frequently Asked Questions

What is the IUPAC name of methane;methanesulfonic acid?
The IUPAC name of methane;methanesulfonic acid (CID 87535456) is methane;methanesulfonic acid.
What is the SMILES notation for methane;methanesulfonic acid?
The canonical SMILES for methane;methanesulfonic acid is C.CS(=O)(=O)O.
What is the InChIKey of methane;methanesulfonic acid?
The InChIKey is QEIDSSLUKKFBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O3S.CH4/c1-5(2,3)4;/h1H3,(H,2,3,4);1H4.
What are the key properties of methane;methanesulfonic acid?
methane;methanesulfonic acid has a molecular weight of 112.15 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methanesulfonic acid is sourced from PubChem (CID 87535456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).