ethanol;methylsulfonylmethane

C4H12O3S — CID 19089508

IUPACethanol;methylsulfonylmethane
SMILESCCO.CS(C)(=O)=O
InChIInChI=1S/C2H6O2S.C2H6O/c1-5(2,3)4;1-2-3/h1-2H3;3H,2H2,1H3
InChIKeyGOOMNOBFVAHWCU-UHFFFAOYSA-N
MW140.20 g/mol
LogP-0.34
Rot. Bonds

About ethanol;methylsulfonylmethane

ethanol;methylsulfonylmethane (PubChem CID 19089508) has the molecular formula C4H12O3S and a molecular weight of 140.20 g/mol. Its IUPAC name is ethanol;methylsulfonylmethane.

Molecular Properties

Compound Nameethanol;methylsulfonylmethane
PubChem CID19089508
Molecular FormulaC4H12O3S
Molecular Weight140.20 g/mol
Exact Mass140.05
IUPAC Nameethanol;methylsulfonylmethane
SMILESCCO.CS(C)(=O)=O
InChIInChI=1S/C2H6O2S.C2H6O/c1-5(2,3)4;1-2-3/h1-2H3;3H,2H2,1H3
InChIKeyGOOMNOBFVAHWCU-UHFFFAOYSA-N
XLogP-0.34
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethanol;methylsulfonylmethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethanol;methylsulfonylmethane?
The IUPAC name of ethanol;methylsulfonylmethane (CID 19089508) is ethanol;methylsulfonylmethane.
What is the SMILES notation for ethanol;methylsulfonylmethane?
The canonical SMILES for ethanol;methylsulfonylmethane is CCO.CS(C)(=O)=O.
What is the InChIKey of ethanol;methylsulfonylmethane?
The InChIKey is GOOMNOBFVAHWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2S.C2H6O/c1-5(2,3)4;1-2-3/h1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;methylsulfonylmethane?
ethanol;methylsulfonylmethane has a molecular weight of 140.20 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;methylsulfonylmethane is sourced from PubChem (CID 19089508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).