ethane-1,2-diol;methylsulfinylmethane

C4H12O3S — CID 18757553

IUPACethane-1,2-diol;methylsulfinylmethane
SMILESCS(C)=O.OCCO
InChIInChI=1S/C2H6O2.C2H6OS/c3-1-2-4;1-4(2)3/h3-4H,1-2H2;1-2H3
InChIKeyDQKMYUKCYYXHJV-UHFFFAOYSA-N
MW140.20 g/mol
LogP-1.03
Rot. Bonds1

About ethane-1,2-diol;methylsulfinylmethane

ethane-1,2-diol;methylsulfinylmethane (PubChem CID 18757553) has the molecular formula C4H12O3S and a molecular weight of 140.20 g/mol. Its IUPAC name is ethane-1,2-diol;methylsulfinylmethane.

Molecular Properties

Compound Nameethane-1,2-diol;methylsulfinylmethane
PubChem CID18757553
Molecular FormulaC4H12O3S
Molecular Weight140.20 g/mol
Exact Mass140.05
IUPAC Nameethane-1,2-diol;methylsulfinylmethane
SMILESCS(C)=O.OCCO
InChIInChI=1S/C2H6O2.C2H6OS/c3-1-2-4;1-4(2)3/h3-4H,1-2H2;1-2H3
InChIKeyDQKMYUKCYYXHJV-UHFFFAOYSA-N
XLogP-1.03
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane-1,2-diol;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 ethane-1,2-diol;methylsulfinylmethane?
The IUPAC name of ethane-1,2-diol;methylsulfinylmethane (CID 18757553) is ethane-1,2-diol;methylsulfinylmethane.
What is the SMILES notation for ethane-1,2-diol;methylsulfinylmethane?
The canonical SMILES for ethane-1,2-diol;methylsulfinylmethane is CS(C)=O.OCCO.
What is the InChIKey of ethane-1,2-diol;methylsulfinylmethane?
The InChIKey is DQKMYUKCYYXHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2.C2H6OS/c3-1-2-4;1-4(2)3/h3-4H,1-2H2;1-2H3.
What are the key properties of ethane-1,2-diol;methylsulfinylmethane?
ethane-1,2-diol;methylsulfinylmethane has a molecular weight of 140.20 g/mol, XLogP of -1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;methylsulfinylmethane is sourced from PubChem (CID 18757553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).