methylsulfonyloxysulfinyl methanesulfonate

C2H6O7S3 — CID 91152697

IUPACmethylsulfonyloxysulfinyl methanesulfonate
SMILESCS(=O)(=O)OS(=O)OS(C)(=O)=O
InChIInChI=1S/C2H6O7S3/c1-11(4,5)8-10(3)9-12(2,6)7/h1-2H3
InChIKeyMMWBYWSGUZCVIC-UHFFFAOYSA-N
MW238.26 g/mol
LogP-1.48
Rot. Bonds4

About methylsulfonyloxysulfinyl methanesulfonate

methylsulfonyloxysulfinyl methanesulfonate (PubChem CID 91152697) has the molecular formula C2H6O7S3 and a molecular weight of 238.26 g/mol. Its IUPAC name is methylsulfonyloxysulfinyl methanesulfonate.

Molecular Properties

Compound Namemethylsulfonyloxysulfinyl methanesulfonate
PubChem CID91152697
Molecular FormulaC2H6O7S3
Molecular Weight238.26 g/mol
Exact Mass237.93
IUPAC Namemethylsulfonyloxysulfinyl methanesulfonate
SMILESCS(=O)(=O)OS(=O)OS(C)(=O)=O
InChIInChI=1S/C2H6O7S3/c1-11(4,5)8-10(3)9-12(2,6)7/h1-2H3
InChIKeyMMWBYWSGUZCVIC-UHFFFAOYSA-N
XLogP-1.48
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-1.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methylsulfonyloxysulfinyl methanesulfonate?
The IUPAC name of methylsulfonyloxysulfinyl methanesulfonate (CID 91152697) is methylsulfonyloxysulfinyl methanesulfonate.
What is the SMILES notation for methylsulfonyloxysulfinyl methanesulfonate?
The canonical SMILES for methylsulfonyloxysulfinyl methanesulfonate is CS(=O)(=O)OS(=O)OS(C)(=O)=O.
What is the InChIKey of methylsulfonyloxysulfinyl methanesulfonate?
The InChIKey is MMWBYWSGUZCVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O7S3/c1-11(4,5)8-10(3)9-12(2,6)7/h1-2H3.
What are the key properties of methylsulfonyloxysulfinyl methanesulfonate?
methylsulfonyloxysulfinyl methanesulfonate has a molecular weight of 238.26 g/mol, XLogP of -1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonyloxysulfinyl methanesulfonate is sourced from PubChem (CID 91152697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).