[(E)-3-methylsulfinylprop-2-enyl] acetate

C6H10O3S — CID 11355659

IUPAC[(E)-3-methylsulfinylprop-2-enyl] acetate
SMILESCC(=O)OC/C=C/S(C)=O
InChIInChI=1S/C6H10O3S/c1-6(7)9-4-3-5-10(2)8/h3,5H,4H2,1-2H3/b5-3+
InChIKeyPCFUQNCGTZYNNW-HWKANZROSA-N
MW162.21 g/mol
LogP0.44
Rot. Bonds3

About [(E)-3-methylsulfinylprop-2-enyl] acetate

[(E)-3-methylsulfinylprop-2-enyl] acetate (PubChem CID 11355659) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is [(E)-3-methylsulfinylprop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-methylsulfinylprop-2-enyl] acetate
PubChem CID11355659
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name[(E)-3-methylsulfinylprop-2-enyl] acetate
SMILESCC(=O)OC/C=C/S(C)=O
InChIInChI=1S/C6H10O3S/c1-6(7)9-4-3-5-10(2)8/h3,5H,4H2,1-2H3/b5-3+
InChIKeyPCFUQNCGTZYNNW-HWKANZROSA-N
XLogP0.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-methylsulfinylprop-2-enyl] acetate?
The IUPAC name of [(E)-3-methylsulfinylprop-2-enyl] acetate (CID 11355659) is [(E)-3-methylsulfinylprop-2-enyl] acetate.
What is the SMILES notation for [(E)-3-methylsulfinylprop-2-enyl] acetate?
The canonical SMILES for [(E)-3-methylsulfinylprop-2-enyl] acetate is CC(=O)OC/C=C/S(C)=O.
What is the InChIKey of [(E)-3-methylsulfinylprop-2-enyl] acetate?
The InChIKey is PCFUQNCGTZYNNW-HWKANZROSA-N. The full InChI is InChI=1S/C6H10O3S/c1-6(7)9-4-3-5-10(2)8/h3,5H,4H2,1-2H3/b5-3+.
What are the key properties of [(E)-3-methylsulfinylprop-2-enyl] acetate?
[(E)-3-methylsulfinylprop-2-enyl] acetate has a molecular weight of 162.21 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-methylsulfinylprop-2-enyl] acetate is sourced from PubChem (CID 11355659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).