methylsulfonylmethanesulfonic acid

C2H6O5S2 — CID 13440992

IUPACmethylsulfonylmethanesulfonic acid
SMILESCS(=O)(=O)CS(=O)(=O)O
InChIInChI=1S/C2H6O5S2/c1-8(3,4)2-9(5,6)7/h2H2,1H3,(H,5,6,7)
InChIKeyBYMKUFGVNOCUCC-UHFFFAOYSA-N
MW174.20 g/mol
LogP-1.12
Rot. Bonds2

About methylsulfonylmethanesulfonic acid

methylsulfonylmethanesulfonic acid (PubChem CID 13440992) has the molecular formula C2H6O5S2 and a molecular weight of 174.20 g/mol. Its IUPAC name is methylsulfonylmethanesulfonic acid.

Molecular Properties

Compound Namemethylsulfonylmethanesulfonic acid
PubChem CID13440992
Molecular FormulaC2H6O5S2
Molecular Weight174.20 g/mol
Exact Mass173.97
IUPAC Namemethylsulfonylmethanesulfonic acid
SMILESCS(=O)(=O)CS(=O)(=O)O
InChIInChI=1S/C2H6O5S2/c1-8(3,4)2-9(5,6)7/h2H2,1H3,(H,5,6,7)
InChIKeyBYMKUFGVNOCUCC-UHFFFAOYSA-N
XLogP-1.12
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 methylsulfonylmethanesulfonic acid?
The IUPAC name of methylsulfonylmethanesulfonic acid (CID 13440992) is methylsulfonylmethanesulfonic acid.
What is the SMILES notation for methylsulfonylmethanesulfonic acid?
The canonical SMILES for methylsulfonylmethanesulfonic acid is CS(=O)(=O)CS(=O)(=O)O.
What is the InChIKey of methylsulfonylmethanesulfonic acid?
The InChIKey is BYMKUFGVNOCUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O5S2/c1-8(3,4)2-9(5,6)7/h2H2,1H3,(H,5,6,7).
What are the key properties of methylsulfonylmethanesulfonic acid?
methylsulfonylmethanesulfonic acid has a molecular weight of 174.20 g/mol, XLogP of -1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylmethanesulfonic acid is sourced from PubChem (CID 13440992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).