ethyl prop-2-enyl sulfite

C5H10O3S — CID 22451029

IUPACethyl prop-2-enyl sulfite
SMILESC=CCOS(=O)OCC
InChIInChI=1S/C5H10O3S/c1-3-5-8-9(6)7-4-2/h3H,1,4-5H2,2H3
InChIKeyKTDJPCARYDIOSP-UHFFFAOYSA-N
MW150.20 g/mol
LogP0.80
Rot. Bonds5

About ethyl prop-2-enyl sulfite

ethyl prop-2-enyl sulfite (PubChem CID 22451029) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is ethyl prop-2-enyl sulfite.

Molecular Properties

Compound Nameethyl prop-2-enyl sulfite
PubChem CID22451029
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Nameethyl prop-2-enyl sulfite
SMILESC=CCOS(=O)OCC
InChIInChI=1S/C5H10O3S/c1-3-5-8-9(6)7-4-2/h3H,1,4-5H2,2H3
InChIKeyKTDJPCARYDIOSP-UHFFFAOYSA-N
XLogP0.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl prop-2-enyl sulfite?
The IUPAC name of ethyl prop-2-enyl sulfite (CID 22451029) is ethyl prop-2-enyl sulfite.
What is the SMILES notation for ethyl prop-2-enyl sulfite?
The canonical SMILES for ethyl prop-2-enyl sulfite is C=CCOS(=O)OCC.
What is the InChIKey of ethyl prop-2-enyl sulfite?
The InChIKey is KTDJPCARYDIOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-3-5-8-9(6)7-4-2/h3H,1,4-5H2,2H3.
What are the key properties of ethyl prop-2-enyl sulfite?
ethyl prop-2-enyl sulfite has a molecular weight of 150.20 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl prop-2-enyl sulfite is sourced from PubChem (CID 22451029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).