ethane-1,2-diol;methylsulfonylmethane

C4H12O4S — CID 18761838

IUPACethane-1,2-diol;methylsulfonylmethane
SMILESCS(C)(=O)=O.OCCO
InChIInChI=1S/C2H6O2S.C2H6O2/c1-5(2,3)4;3-1-2-4/h1-2H3;3-4H,1-2H2
InChIKeyFFRXANYJISQIDB-UHFFFAOYSA-N
MW156.20 g/mol
LogP-1.37
Rot. Bonds1

About ethane-1,2-diol;methylsulfonylmethane

ethane-1,2-diol;methylsulfonylmethane (PubChem CID 18761838) has the molecular formula C4H12O4S and a molecular weight of 156.20 g/mol. Its IUPAC name is ethane-1,2-diol;methylsulfonylmethane.

Molecular Properties

Compound Nameethane-1,2-diol;methylsulfonylmethane
PubChem CID18761838
Molecular FormulaC4H12O4S
Molecular Weight156.20 g/mol
Exact Mass156.05
IUPAC Nameethane-1,2-diol;methylsulfonylmethane
SMILESCS(C)(=O)=O.OCCO
InChIInChI=1S/C2H6O2S.C2H6O2/c1-5(2,3)4;3-1-2-4/h1-2H3;3-4H,1-2H2
InChIKeyFFRXANYJISQIDB-UHFFFAOYSA-N
XLogP-1.37
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;methylsulfonylmethane?
The IUPAC name of ethane-1,2-diol;methylsulfonylmethane (CID 18761838) is ethane-1,2-diol;methylsulfonylmethane.
What is the SMILES notation for ethane-1,2-diol;methylsulfonylmethane?
The canonical SMILES for ethane-1,2-diol;methylsulfonylmethane is CS(C)(=O)=O.OCCO.
What is the InChIKey of ethane-1,2-diol;methylsulfonylmethane?
The InChIKey is FFRXANYJISQIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2S.C2H6O2/c1-5(2,3)4;3-1-2-4/h1-2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;methylsulfonylmethane?
ethane-1,2-diol;methylsulfonylmethane has a molecular weight of 156.20 g/mol, XLogP of -1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;methylsulfonylmethane is sourced from PubChem (CID 18761838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).