methylsulfonyloxysulfanyl methanesulfonate

C2H6O6S3 — CID 154514855

IUPACmethylsulfonyloxysulfanyl methanesulfonate
SMILESCS(=O)(=O)OSOS(C)(=O)=O
InChIInChI=1S/C2H6O6S3/c1-10(3,4)7-9-8-11(2,5)6/h1-2H3
InChIKeyCVZUGUKAEGMGGG-UHFFFAOYSA-N
MW222.26 g/mol
LogP-0.50
Rot. Bonds4

About methylsulfonyloxysulfanyl methanesulfonate

methylsulfonyloxysulfanyl methanesulfonate (PubChem CID 154514855) has the molecular formula C2H6O6S3 and a molecular weight of 222.26 g/mol. Its IUPAC name is methylsulfonyloxysulfanyl methanesulfonate.

Molecular Properties

Compound Namemethylsulfonyloxysulfanyl methanesulfonate
PubChem CID154514855
Molecular FormulaC2H6O6S3
Molecular Weight222.26 g/mol
Exact Mass221.93
IUPAC Namemethylsulfonyloxysulfanyl methanesulfonate
SMILESCS(=O)(=O)OSOS(C)(=O)=O
InChIInChI=1S/C2H6O6S3/c1-10(3,4)7-9-8-11(2,5)6/h1-2H3
InChIKeyCVZUGUKAEGMGGG-UHFFFAOYSA-N
XLogP-0.50
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylsulfonyloxysulfanyl methanesulfonate?
The IUPAC name of methylsulfonyloxysulfanyl methanesulfonate (CID 154514855) is methylsulfonyloxysulfanyl methanesulfonate.
What is the SMILES notation for methylsulfonyloxysulfanyl methanesulfonate?
The canonical SMILES for methylsulfonyloxysulfanyl methanesulfonate is CS(=O)(=O)OSOS(C)(=O)=O.
What is the InChIKey of methylsulfonyloxysulfanyl methanesulfonate?
The InChIKey is CVZUGUKAEGMGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O6S3/c1-10(3,4)7-9-8-11(2,5)6/h1-2H3.
What are the key properties of methylsulfonyloxysulfanyl methanesulfonate?
methylsulfonyloxysulfanyl methanesulfonate has a molecular weight of 222.26 g/mol, XLogP of -0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonyloxysulfanyl methanesulfonate is sourced from PubChem (CID 154514855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).