ethyl prop-2-ene-1-sulfinate

C5H10O2S — CID 6366717

IUPACethyl prop-2-ene-1-sulfinate
SMILESC=CCS(=O)OCC
InChIInChI=1S/C5H10O2S/c1-3-5-8(6)7-4-2/h3H,1,4-5H2,2H3
InChIKeyFUZBQGFVQBLMHA-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.87
Rot. Bonds4

About ethyl prop-2-ene-1-sulfinate

ethyl prop-2-ene-1-sulfinate (PubChem CID 6366717) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is ethyl prop-2-ene-1-sulfinate.

Molecular Properties

Compound Nameethyl prop-2-ene-1-sulfinate
PubChem CID6366717
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Nameethyl prop-2-ene-1-sulfinate
SMILESC=CCS(=O)OCC
InChIInChI=1S/C5H10O2S/c1-3-5-8(6)7-4-2/h3H,1,4-5H2,2H3
InChIKeyFUZBQGFVQBLMHA-UHFFFAOYSA-N
XLogP0.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ene-1-sulfinate?
The IUPAC name of ethyl prop-2-ene-1-sulfinate (CID 6366717) is ethyl prop-2-ene-1-sulfinate.
What is the SMILES notation for ethyl prop-2-ene-1-sulfinate?
The canonical SMILES for ethyl prop-2-ene-1-sulfinate is C=CCS(=O)OCC.
What is the InChIKey of ethyl prop-2-ene-1-sulfinate?
The InChIKey is FUZBQGFVQBLMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-3-5-8(6)7-4-2/h3H,1,4-5H2,2H3.
What are the key properties of ethyl prop-2-ene-1-sulfinate?
ethyl prop-2-ene-1-sulfinate has a molecular weight of 134.20 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl prop-2-ene-1-sulfinate is sourced from PubChem (CID 6366717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).