methane;methylsulfonylmethane

C8H26O6S3 — CID 160580045

IUPACmethane;methylsulfonylmethane
SMILESC.C.CS(C)(=O)=O.CS(C)(=O)=O.CS(C)(=O)=O
InChIInChI=1S/3C2H6O2S.2CH4/c3*1-5(2,3)4;;/h3*1-2H3;2*1H4
InChIKeyRBQVQDPMPUFXJM-UHFFFAOYSA-N
MW314.49 g/mol
LogP0.25
Rot. Bonds

About methane;methylsulfonylmethane

methane;methylsulfonylmethane (PubChem CID 160580045) has the molecular formula C8H26O6S3 and a molecular weight of 314.49 g/mol. Its IUPAC name is methane;methylsulfonylmethane.

Molecular Properties

Compound Namemethane;methylsulfonylmethane
PubChem CID160580045
Molecular FormulaC8H26O6S3
Molecular Weight314.49 g/mol
Exact Mass314.09
IUPAC Namemethane;methylsulfonylmethane
SMILESC.C.CS(C)(=O)=O.CS(C)(=O)=O.CS(C)(=O)=O
InChIInChI=1S/3C2H6O2S.2CH4/c3*1-5(2,3)4;;/h3*1-2H3;2*1H4
InChIKeyRBQVQDPMPUFXJM-UHFFFAOYSA-N
XLogP0.25
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.49
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methane;methylsulfonylmethane?
The IUPAC name of methane;methylsulfonylmethane (CID 160580045) is methane;methylsulfonylmethane.
What is the SMILES notation for methane;methylsulfonylmethane?
The canonical SMILES for methane;methylsulfonylmethane is C.C.CS(C)(=O)=O.CS(C)(=O)=O.CS(C)(=O)=O.
What is the InChIKey of methane;methylsulfonylmethane?
The InChIKey is RBQVQDPMPUFXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H6O2S.2CH4/c3*1-5(2,3)4;;/h3*1-2H3;2*1H4.
What are the key properties of methane;methylsulfonylmethane?
methane;methylsulfonylmethane has a molecular weight of 314.49 g/mol, XLogP of 0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methylsulfonylmethane is sourced from PubChem (CID 160580045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).