ethane;methanesulfonic acid

C4H14O6S2 — CID 87194848

IUPACethane;methanesulfonic acid
SMILESCC.CS(=O)(=O)O.CS(=O)(=O)O
InChIInChI=1S/C2H6.2CH4O3S/c1-2;2*1-5(2,3)4/h1-2H3;2*1H3,(H,2,3,4)
InChIKeyRYSRRQRKJUEFRT-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.03
Rot. Bonds

About ethane;methanesulfonic acid

ethane;methanesulfonic acid (PubChem CID 87194848) has the molecular formula C4H14O6S2 and a molecular weight of 222.28 g/mol. Its IUPAC name is ethane;methanesulfonic acid.

Molecular Properties

Compound Nameethane;methanesulfonic acid
PubChem CID87194848
Molecular FormulaC4H14O6S2
Molecular Weight222.28 g/mol
Exact Mass222.02
IUPAC Nameethane;methanesulfonic acid
SMILESCC.CS(=O)(=O)O.CS(=O)(=O)O
InChIInChI=1S/C2H6.2CH4O3S/c1-2;2*1-5(2,3)4/h1-2H3;2*1H3,(H,2,3,4)
InChIKeyRYSRRQRKJUEFRT-UHFFFAOYSA-N
XLogP0.03
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.03
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 87129852
CID 87129852
hydron;methanesulfonic acid
CID 19767432
methanesulfonic acid;hydrate
CID 87278985
methanesulfonic acid;stibane
CID 173129060
CID 72786756
CID 72786756
methane;methanesulfonic acid
CID 87535456
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
methanesulfonic acid;hydrate;hydrochloride
CID 140967673
alumane;methanesulfonic acid;hydrofluoride
CID 174812209

Frequently Asked Questions

What is the IUPAC name of ethane;methanesulfonic acid?
The IUPAC name of ethane;methanesulfonic acid (CID 87194848) is ethane;methanesulfonic acid.
What is the SMILES notation for ethane;methanesulfonic acid?
The canonical SMILES for ethane;methanesulfonic acid is CC.CS(=O)(=O)O.CS(=O)(=O)O.
What is the InChIKey of ethane;methanesulfonic acid?
The InChIKey is RYSRRQRKJUEFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.2CH4O3S/c1-2;2*1-5(2,3)4/h1-2H3;2*1H3,(H,2,3,4).
What are the key properties of ethane;methanesulfonic acid?
ethane;methanesulfonic acid has a molecular weight of 222.28 g/mol, XLogP of 0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanesulfonic acid is sourced from PubChem (CID 87194848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).