methylsulfonylmethylsulfonylbenzene

C8H10O4S2 — CID 12557171

IUPACmethylsulfonylmethylsulfonylbenzene
SMILESCS(=O)(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H10O4S2/c1-13(9,10)7-14(11,12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyJAKVMFRGYPKWDI-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.46
Rot. Bonds3

About methylsulfonylmethylsulfonylbenzene

methylsulfonylmethylsulfonylbenzene (PubChem CID 12557171) has the molecular formula C8H10O4S2 and a molecular weight of 234.30 g/mol. Its IUPAC name is methylsulfonylmethylsulfonylbenzene.

Molecular Properties

Compound Namemethylsulfonylmethylsulfonylbenzene
PubChem CID12557171
Molecular FormulaC8H10O4S2
Molecular Weight234.30 g/mol
Exact Mass234.00
IUPAC Namemethylsulfonylmethylsulfonylbenzene
SMILESCS(=O)(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H10O4S2/c1-13(9,10)7-14(11,12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyJAKVMFRGYPKWDI-UHFFFAOYSA-N
XLogP0.46
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methylsulfonylmethylsulfonylbenzene?
The IUPAC name of methylsulfonylmethylsulfonylbenzene (CID 12557171) is methylsulfonylmethylsulfonylbenzene.
What is the SMILES notation for methylsulfonylmethylsulfonylbenzene?
The canonical SMILES for methylsulfonylmethylsulfonylbenzene is CS(=O)(=O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of methylsulfonylmethylsulfonylbenzene?
The InChIKey is JAKVMFRGYPKWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4S2/c1-13(9,10)7-14(11,12)8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of methylsulfonylmethylsulfonylbenzene?
methylsulfonylmethylsulfonylbenzene has a molecular weight of 234.30 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylmethylsulfonylbenzene is sourced from PubChem (CID 12557171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).