2-ethenoxy-2-oxoethanesulfinic acid

C4H6O4S — CID 175606691

IUPAC2-ethenoxy-2-oxoethanesulfinic acid
SMILESC=COC(=O)CS(=O)O
InChIInChI=1S/C4H6O4S/c1-2-8-4(5)3-9(6)7/h2H,1,3H2,(H,6,7)
InChIKeySZSAKLQORCDUDK-UHFFFAOYSA-N
MW150.15 g/mol
LogP-0.11
Rot. Bonds3

About 2-ethenoxy-2-oxoethanesulfinic acid

2-ethenoxy-2-oxoethanesulfinic acid (PubChem CID 175606691) has the molecular formula C4H6O4S and a molecular weight of 150.15 g/mol. Its IUPAC name is 2-ethenoxy-2-oxoethanesulfinic acid.

Molecular Properties

Compound Name2-ethenoxy-2-oxoethanesulfinic acid
PubChem CID175606691
Molecular FormulaC4H6O4S
Molecular Weight150.15 g/mol
Exact Mass150.00
IUPAC Name2-ethenoxy-2-oxoethanesulfinic acid
SMILESC=COC(=O)CS(=O)O
InChIInChI=1S/C4H6O4S/c1-2-8-4(5)3-9(6)7/h2H,1,3H2,(H,6,7)
InChIKeySZSAKLQORCDUDK-UHFFFAOYSA-N
XLogP-0.11
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-2-oxoethanesulfinic acid?
The IUPAC name of 2-ethenoxy-2-oxoethanesulfinic acid (CID 175606691) is 2-ethenoxy-2-oxoethanesulfinic acid.
What is the SMILES notation for 2-ethenoxy-2-oxoethanesulfinic acid?
The canonical SMILES for 2-ethenoxy-2-oxoethanesulfinic acid is C=COC(=O)CS(=O)O.
What is the InChIKey of 2-ethenoxy-2-oxoethanesulfinic acid?
The InChIKey is SZSAKLQORCDUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4S/c1-2-8-4(5)3-9(6)7/h2H,1,3H2,(H,6,7).
What are the key properties of 2-ethenoxy-2-oxoethanesulfinic acid?
2-ethenoxy-2-oxoethanesulfinic acid has a molecular weight of 150.15 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-2-oxoethanesulfinic acid is sourced from PubChem (CID 175606691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).