methylsulfonylsulfonylmethane

C2H6O4S2 — CID 12722231

IUPACmethylsulfonylsulfonylmethane
SMILESCS(=O)(=O)S(C)(=O)=O
InChIInChI=1S/C2H6O4S2/c1-7(3,4)8(2,5)6/h1-2H3
InChIKeyYOKNTCZOOFBTDG-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.01
Rot. Bonds1

About methylsulfonylsulfonylmethane

methylsulfonylsulfonylmethane (PubChem CID 12722231) has the molecular formula C2H6O4S2 and a molecular weight of 158.20 g/mol. Its IUPAC name is methylsulfonylsulfonylmethane.

Molecular Properties

Compound Namemethylsulfonylsulfonylmethane
PubChem CID12722231
Molecular FormulaC2H6O4S2
Molecular Weight158.20 g/mol
Exact Mass157.97
IUPAC Namemethylsulfonylsulfonylmethane
SMILESCS(=O)(=O)S(C)(=O)=O
InChIInChI=1S/C2H6O4S2/c1-7(3,4)8(2,5)6/h1-2H3
InChIKeyYOKNTCZOOFBTDG-UHFFFAOYSA-N
XLogP-1.01
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylsulfonylsulfonylmethane?
The IUPAC name of methylsulfonylsulfonylmethane (CID 12722231) is methylsulfonylsulfonylmethane.
What is the SMILES notation for methylsulfonylsulfonylmethane?
The canonical SMILES for methylsulfonylsulfonylmethane is CS(=O)(=O)S(C)(=O)=O.
What is the InChIKey of methylsulfonylsulfonylmethane?
The InChIKey is YOKNTCZOOFBTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O4S2/c1-7(3,4)8(2,5)6/h1-2H3.
What are the key properties of methylsulfonylsulfonylmethane?
methylsulfonylsulfonylmethane has a molecular weight of 158.20 g/mol, XLogP of -1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylsulfonylmethane is sourced from PubChem (CID 12722231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).