methylsulfonylmethanesulfinic acid

C2H6O4S2 — CID 22045949

IUPACmethylsulfonylmethanesulfinic acid
SMILESCS(=O)(=O)CS(=O)O
InChIInChI=1S/C2H6O4S2/c1-8(5,6)2-7(3)4/h2H2,1H3,(H,3,4)
InChIKeyCBKJJOFJHWJJTF-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.79
Rot. Bonds2

About methylsulfonylmethanesulfinic acid

methylsulfonylmethanesulfinic acid (PubChem CID 22045949) has the molecular formula C2H6O4S2 and a molecular weight of 158.20 g/mol. Its IUPAC name is methylsulfonylmethanesulfinic acid.

Molecular Properties

Compound Namemethylsulfonylmethanesulfinic acid
PubChem CID22045949
Molecular FormulaC2H6O4S2
Molecular Weight158.20 g/mol
Exact Mass157.97
IUPAC Namemethylsulfonylmethanesulfinic acid
SMILESCS(=O)(=O)CS(=O)O
InChIInChI=1S/C2H6O4S2/c1-8(5,6)2-7(3)4/h2H2,1H3,(H,3,4)
InChIKeyCBKJJOFJHWJJTF-UHFFFAOYSA-N
XLogP-0.79
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bis(methylsulfonyl)methane
CID 240586
Methanesulfonylmethanesulfonyl chloride
CID 556269
Sodium methanesulfonylmethanesulfinate
CID 130858353
(Trimethyl-lambda4-sulfanyl) hydrogen sulfate
CID 88842691
Sodium bis(methylsulfonyl)methane
CID 270318
CID 13636051
CID 13636051
Lithium bis(methylsulfonyl)methane
CID 14123340
(Methylsulfonyl)methanesulfonic acid
CID 13440992
Methylsulfanylmethanesulfonic acid
CID 13519606
CID 18924051
CID 18924051
Methylsulfanylmethylsulfanyl hydrogen sulfate
CID 19909883
Methylsulfonylmethanesulfonate
CID 20151810

Frequently Asked Questions

What is the IUPAC name of methylsulfonylmethanesulfinic acid?
The IUPAC name of methylsulfonylmethanesulfinic acid (CID 22045949) is methylsulfonylmethanesulfinic acid.
What is the SMILES notation for methylsulfonylmethanesulfinic acid?
The canonical SMILES for methylsulfonylmethanesulfinic acid is CS(=O)(=O)CS(=O)O.
What is the InChIKey of methylsulfonylmethanesulfinic acid?
The InChIKey is CBKJJOFJHWJJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O4S2/c1-8(5,6)2-7(3)4/h2H2,1H3,(H,3,4).
What are the key properties of methylsulfonylmethanesulfinic acid?
methylsulfonylmethanesulfinic acid has a molecular weight of 158.20 g/mol, XLogP of -0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylmethanesulfinic acid is sourced from PubChem (CID 22045949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).