methyl ethanesulfinate

C3H8O2S — CID 520525

IUPACmethyl ethanesulfinate
SMILESCCS(=O)OC
InChIInChI=1S/C3H8O2S/c1-3-6(4)5-2/h3H2,1-2H3
InChIKeyUTOWKUXZEJXEMP-UHFFFAOYSA-N
MW108.16 g/mol
LogP0.32
Rot. Bonds2

About methyl ethanesulfinate

methyl ethanesulfinate (PubChem CID 520525) has the molecular formula C3H8O2S and a molecular weight of 108.16 g/mol. Its IUPAC name is methyl ethanesulfinate.

Molecular Properties

Compound Namemethyl ethanesulfinate
PubChem CID520525
Molecular FormulaC3H8O2S
Molecular Weight108.16 g/mol
Exact Mass108.02
IUPAC Namemethyl ethanesulfinate
SMILESCCS(=O)OC
InChIInChI=1S/C3H8O2S/c1-3-6(4)5-2/h3H2,1-2H3
InChIKeyUTOWKUXZEJXEMP-UHFFFAOYSA-N
XLogP0.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.16
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl ethanesulfinate?
The IUPAC name of methyl ethanesulfinate (CID 520525) is methyl ethanesulfinate.
What is the SMILES notation for methyl ethanesulfinate?
The canonical SMILES for methyl ethanesulfinate is CCS(=O)OC.
What is the InChIKey of methyl ethanesulfinate?
The InChIKey is UTOWKUXZEJXEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2S/c1-3-6(4)5-2/h3H2,1-2H3.
What are the key properties of methyl ethanesulfinate?
methyl ethanesulfinate has a molecular weight of 108.16 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl ethanesulfinate is sourced from PubChem (CID 520525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).