ethane-1,2-diol;methylsulfanylmethane

C4H12O2S — CID 23432746

IUPACethane-1,2-diol;methylsulfanylmethane
SMILESCSC.OCCO
InChIInChI=1S/C2H6O2.C2H6S/c3-1-2-4;1-3-2/h3-4H,1-2H2;1-2H3
InChIKeyIQUSEUGUQFEYMK-UHFFFAOYSA-N
MW124.20 g/mol
LogP-0.05
Rot. Bonds1

About ethane-1,2-diol;methylsulfanylmethane

ethane-1,2-diol;methylsulfanylmethane (PubChem CID 23432746) has the molecular formula C4H12O2S and a molecular weight of 124.20 g/mol. Its IUPAC name is ethane-1,2-diol;methylsulfanylmethane.

Molecular Properties

Compound Nameethane-1,2-diol;methylsulfanylmethane
PubChem CID23432746
Molecular FormulaC4H12O2S
Molecular Weight124.20 g/mol
Exact Mass124.06
IUPAC Nameethane-1,2-diol;methylsulfanylmethane
SMILESCSC.OCCO
InChIInChI=1S/C2H6O2.C2H6S/c3-1-2-4;1-3-2/h3-4H,1-2H2;1-2H3
InChIKeyIQUSEUGUQFEYMK-UHFFFAOYSA-N
XLogP-0.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;methylsulfanylmethane?
The IUPAC name of ethane-1,2-diol;methylsulfanylmethane (CID 23432746) is ethane-1,2-diol;methylsulfanylmethane.
What is the SMILES notation for ethane-1,2-diol;methylsulfanylmethane?
The canonical SMILES for ethane-1,2-diol;methylsulfanylmethane is CSC.OCCO.
What is the InChIKey of ethane-1,2-diol;methylsulfanylmethane?
The InChIKey is IQUSEUGUQFEYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2.C2H6S/c3-1-2-4;1-3-2/h3-4H,1-2H2;1-2H3.
What are the key properties of ethane-1,2-diol;methylsulfanylmethane?
ethane-1,2-diol;methylsulfanylmethane has a molecular weight of 124.20 g/mol, XLogP of -0.05, 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;methylsulfanylmethane is sourced from PubChem (CID 23432746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).