methylsulfonyl(methylsulfonylmethylsulfonyl)methane

C4H10O6S3 — CID 12512295

IUPACmethylsulfonyl(methylsulfonylmethylsulfonyl)methane
SMILESCS(=O)(=O)CS(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C4H10O6S3/c1-11(5,6)3-13(9,10)4-12(2,7)8/h3-4H2,1-2H3
InChIKeyDKOWUQROJQMWSB-UHFFFAOYSA-N
MW250.32 g/mol
LogP-1.59
Rot. Bonds4

About methylsulfonyl(methylsulfonylmethylsulfonyl)methane

methylsulfonyl(methylsulfonylmethylsulfonyl)methane (PubChem CID 12512295) has the molecular formula C4H10O6S3 and a molecular weight of 250.32 g/mol. Its IUPAC name is methylsulfonyl(methylsulfonylmethylsulfonyl)methane.

Molecular Properties

Compound Namemethylsulfonyl(methylsulfonylmethylsulfonyl)methane
PubChem CID12512295
Molecular FormulaC4H10O6S3
Molecular Weight250.32 g/mol
Exact Mass249.96
IUPAC Namemethylsulfonyl(methylsulfonylmethylsulfonyl)methane
SMILESCS(=O)(=O)CS(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C4H10O6S3/c1-11(5,6)3-13(9,10)4-12(2,7)8/h3-4H2,1-2H3
InChIKeyDKOWUQROJQMWSB-UHFFFAOYSA-N
XLogP-1.59
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-1.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,3,5,7,9-Pentathiadecane 2,2-dioxide
CID 11777600
Bis((methylsulfonyl)methyl) disulfide
CID 194638
Bis(methylsulfonyl)methane
CID 240586
Methane, (methylsulfonyl)(methylthio)-
CID 401304
S-((methylthio)methyl) methanesulfonothioate
CID 10965006
Methanesulfonylmethanesulfonyl chloride
CID 556269
S-Methyl (((methylthio)methyl)thio)methanesulfonothioate
CID 86208848
Methylsulfanyl(methylsulfanylmethylsulfonyl)methane
CID 15326856
Methanesulfonic acid, (methylsulfonyl)-, methyl ester
CID 151857
Trimethylsulfonylmethane
CID 144231
2,4,5,7-Tetrathiaoctane 4,4-dioxide
CID 10082131
Methylsulfanyl(methylsulfanylsulfonyl)methane
CID 86208847

Frequently Asked Questions

What is the IUPAC name of methylsulfonyl(methylsulfonylmethylsulfonyl)methane?
The IUPAC name of methylsulfonyl(methylsulfonylmethylsulfonyl)methane (CID 12512295) is methylsulfonyl(methylsulfonylmethylsulfonyl)methane.
What is the SMILES notation for methylsulfonyl(methylsulfonylmethylsulfonyl)methane?
The canonical SMILES for methylsulfonyl(methylsulfonylmethylsulfonyl)methane is CS(=O)(=O)CS(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of methylsulfonyl(methylsulfonylmethylsulfonyl)methane?
The InChIKey is DKOWUQROJQMWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O6S3/c1-11(5,6)3-13(9,10)4-12(2,7)8/h3-4H2,1-2H3.
What are the key properties of methylsulfonyl(methylsulfonylmethylsulfonyl)methane?
methylsulfonyl(methylsulfonylmethylsulfonyl)methane has a molecular weight of 250.32 g/mol, XLogP of -1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonyl(methylsulfonylmethylsulfonyl)methane is sourced from PubChem (CID 12512295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).