2-ethenylsulfonylpropanal

C5H8O3S — CID 173389769

IUPAC2-ethenylsulfonylpropanal
SMILESC=CS(=O)(=O)C(C)C=O
InChIInChI=1S/C5H8O3S/c1-3-9(7,8)5(2)4-6/h3-5H,1H2,2H3
InChIKeyHXJBBZUZKOXAOT-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.13
Rot. Bonds3

About 2-ethenylsulfonylpropanal

2-ethenylsulfonylpropanal (PubChem CID 173389769) has the molecular formula C5H8O3S and a molecular weight of 148.18 g/mol. Its IUPAC name is 2-ethenylsulfonylpropanal.

Molecular Properties

Compound Name2-ethenylsulfonylpropanal
PubChem CID173389769
Molecular FormulaC5H8O3S
Molecular Weight148.18 g/mol
Exact Mass148.02
IUPAC Name2-ethenylsulfonylpropanal
SMILESC=CS(=O)(=O)C(C)C=O
InChIInChI=1S/C5H8O3S/c1-3-9(7,8)5(2)4-6/h3-5H,1H2,2H3
InChIKeyHXJBBZUZKOXAOT-UHFFFAOYSA-N
XLogP0.13
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfonylpropanal?
The IUPAC name of 2-ethenylsulfonylpropanal (CID 173389769) is 2-ethenylsulfonylpropanal.
What is the SMILES notation for 2-ethenylsulfonylpropanal?
The canonical SMILES for 2-ethenylsulfonylpropanal is C=CS(=O)(=O)C(C)C=O.
What is the InChIKey of 2-ethenylsulfonylpropanal?
The InChIKey is HXJBBZUZKOXAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3S/c1-3-9(7,8)5(2)4-6/h3-5H,1H2,2H3.
What are the key properties of 2-ethenylsulfonylpropanal?
2-ethenylsulfonylpropanal has a molecular weight of 148.18 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfonylpropanal is sourced from PubChem (CID 173389769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).