ethoxymethanesulfinic acid

C3H8O3S — CID 57208749

IUPACethoxymethanesulfinic acid
SMILESCCOCS(=O)O
InChIInChI=1S/C3H8O3S/c1-2-6-3-7(4)5/h2-3H2,1H3,(H,4,5)
InChIKeyYVIIZNIUGTZCNG-UHFFFAOYSA-N
MW124.16 g/mol
LogP0.20
Rot. Bonds3

About ethoxymethanesulfinic acid

ethoxymethanesulfinic acid (PubChem CID 57208749) has the molecular formula C3H8O3S and a molecular weight of 124.16 g/mol. Its IUPAC name is ethoxymethanesulfinic acid.

Molecular Properties

Compound Nameethoxymethanesulfinic acid
PubChem CID57208749
Molecular FormulaC3H8O3S
Molecular Weight124.16 g/mol
Exact Mass124.02
IUPAC Nameethoxymethanesulfinic acid
SMILESCCOCS(=O)O
InChIInChI=1S/C3H8O3S/c1-2-6-3-7(4)5/h2-3H2,1H3,(H,4,5)
InChIKeyYVIIZNIUGTZCNG-UHFFFAOYSA-N
XLogP0.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.16
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

ethoxyethane;methylsulfinylmethane
CID 19869614
2-(ethoxymethylsulfinyl)-2-methylpropanoic acid
CID 81228613
2-(ethoxymethylsulfinyl)ethanamine
CID 81175011
sodium ethanesulfinic acid
CID 19960758
methylsulfonyloxymethanesulfinic acid
CID 19968884
ethoxyethane
CID 19002445
ethoxyethane
CID 18694919
2-(2-ethylsulfanylethoxy)ethanesulfinic acid
CID 140919024
carbamoyloxymethanesulfinic acid
CID 174491498
ethoxyethane;oxophosphane
CID 18547249
ethoxyethane;hydroxylamine
CID 135816400
ethoxyethane;formaldehyde
CID 174286087

Frequently Asked Questions

What is the IUPAC name of ethoxymethanesulfinic acid?
The IUPAC name of ethoxymethanesulfinic acid (CID 57208749) is ethoxymethanesulfinic acid.
What is the SMILES notation for ethoxymethanesulfinic acid?
The canonical SMILES for ethoxymethanesulfinic acid is CCOCS(=O)O.
What is the InChIKey of ethoxymethanesulfinic acid?
The InChIKey is YVIIZNIUGTZCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3S/c1-2-6-3-7(4)5/h2-3H2,1H3,(H,4,5).
What are the key properties of ethoxymethanesulfinic acid?
ethoxymethanesulfinic acid has a molecular weight of 124.16 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethanesulfinic acid is sourced from PubChem (CID 57208749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).