ethyl 2-methylprop-2-ene-1-sulfinate

C6H12O2S — CID 11286560

IUPACethyl 2-methylprop-2-ene-1-sulfinate
SMILESC=C(C)CS(=O)OCC
InChIInChI=1S/C6H12O2S/c1-4-8-9(7)5-6(2)3/h2,4-5H2,1,3H3
InChIKeyVSQOIBVEMZAVTE-UHFFFAOYSA-N
MW148.23 g/mol
LogP1.26
Rot. Bonds4

About ethyl 2-methylprop-2-ene-1-sulfinate

ethyl 2-methylprop-2-ene-1-sulfinate (PubChem CID 11286560) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is ethyl 2-methylprop-2-ene-1-sulfinate.

Molecular Properties

Compound Nameethyl 2-methylprop-2-ene-1-sulfinate
PubChem CID11286560
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Nameethyl 2-methylprop-2-ene-1-sulfinate
SMILESC=C(C)CS(=O)OCC
InChIInChI=1S/C6H12O2S/c1-4-8-9(7)5-6(2)3/h2,4-5H2,1,3H3
InChIKeyVSQOIBVEMZAVTE-UHFFFAOYSA-N
XLogP1.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.26
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 2-methylprop-2-ene-1-sulfinate?
The IUPAC name of ethyl 2-methylprop-2-ene-1-sulfinate (CID 11286560) is ethyl 2-methylprop-2-ene-1-sulfinate.
What is the SMILES notation for ethyl 2-methylprop-2-ene-1-sulfinate?
The canonical SMILES for ethyl 2-methylprop-2-ene-1-sulfinate is C=C(C)CS(=O)OCC.
What is the InChIKey of ethyl 2-methylprop-2-ene-1-sulfinate?
The InChIKey is VSQOIBVEMZAVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-4-8-9(7)5-6(2)3/h2,4-5H2,1,3H3.
What are the key properties of ethyl 2-methylprop-2-ene-1-sulfinate?
ethyl 2-methylprop-2-ene-1-sulfinate has a molecular weight of 148.23 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylprop-2-ene-1-sulfinate is sourced from PubChem (CID 11286560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).