ethanol;methylsulfinylmethane

C4H12O2S — CID 22338741

IUPACethanol;methylsulfinylmethane
SMILESCCO.CS(C)=O
InChIInChI=1S/C2H6OS.C2H6O/c1-4(2)3;1-2-3/h1-2H3;3H,2H2,1H3
InChIKeyLBOVMDOAMWYGHK-UHFFFAOYSA-N
MW124.20 g/mol
LogP-0.01
Rot. Bonds

About ethanol;methylsulfinylmethane

ethanol;methylsulfinylmethane (PubChem CID 22338741) has the molecular formula C4H12O2S and a molecular weight of 124.20 g/mol. Its IUPAC name is ethanol;methylsulfinylmethane.

Molecular Properties

Compound Nameethanol;methylsulfinylmethane
PubChem CID22338741
Molecular FormulaC4H12O2S
Molecular Weight124.20 g/mol
Exact Mass124.06
IUPAC Nameethanol;methylsulfinylmethane
SMILESCCO.CS(C)=O
InChIInChI=1S/C2H6OS.C2H6O/c1-4(2)3;1-2-3/h1-2H3;3H,2H2,1H3
InChIKeyLBOVMDOAMWYGHK-UHFFFAOYSA-N
XLogP-0.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.20
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethanol;methylsulfinylmethane 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;methylsulfinylmethane?
The IUPAC name of ethanol;methylsulfinylmethane (CID 22338741) is ethanol;methylsulfinylmethane.
What is the SMILES notation for ethanol;methylsulfinylmethane?
The canonical SMILES for ethanol;methylsulfinylmethane is CCO.CS(C)=O.
What is the InChIKey of ethanol;methylsulfinylmethane?
The InChIKey is LBOVMDOAMWYGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6OS.C2H6O/c1-4(2)3;1-2-3/h1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;methylsulfinylmethane?
ethanol;methylsulfinylmethane has a molecular weight of 124.20 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;methylsulfinylmethane is sourced from PubChem (CID 22338741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).