ethyl prop-1-ene-2-sulfinate

C5H10O2S — CID 20836372

IUPACethyl prop-1-ene-2-sulfinate
SMILESC=C(C)S(=O)OCC
InChIInChI=1S/C5H10O2S/c1-4-7-8(6)5(2)3/h2,4H2,1,3H3
InChIKeyIWVURRDFUVJNRM-UHFFFAOYSA-N
MW134.20 g/mol
LogP1.22
Rot. Bonds3

About ethyl prop-1-ene-2-sulfinate

ethyl prop-1-ene-2-sulfinate (PubChem CID 20836372) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is ethyl prop-1-ene-2-sulfinate.

Molecular Properties

Compound Nameethyl prop-1-ene-2-sulfinate
PubChem CID20836372
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Nameethyl prop-1-ene-2-sulfinate
SMILESC=C(C)S(=O)OCC
InChIInChI=1S/C5H10O2S/c1-4-7-8(6)5(2)3/h2,4H2,1,3H3
InChIKeyIWVURRDFUVJNRM-UHFFFAOYSA-N
XLogP1.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl prop-1-ene-2-sulfinate?
The IUPAC name of ethyl prop-1-ene-2-sulfinate (CID 20836372) is ethyl prop-1-ene-2-sulfinate.
What is the SMILES notation for ethyl prop-1-ene-2-sulfinate?
The canonical SMILES for ethyl prop-1-ene-2-sulfinate is C=C(C)S(=O)OCC.
What is the InChIKey of ethyl prop-1-ene-2-sulfinate?
The InChIKey is IWVURRDFUVJNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-4-7-8(6)5(2)3/h2,4H2,1,3H3.
What are the key properties of ethyl prop-1-ene-2-sulfinate?
ethyl prop-1-ene-2-sulfinate has a molecular weight of 134.20 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl prop-1-ene-2-sulfinate is sourced from PubChem (CID 20836372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).