methyl 3-ethylsulfinylpropanoate

C6H12O3S — CID 61303551

IUPACmethyl 3-ethylsulfinylpropanoate
SMILESCCS(=O)CCC(=O)OC
InChIInChI=1S/C6H12O3S/c1-3-10(8)5-4-6(7)9-2/h3-5H2,1-2H3
InChIKeyVWOZRYDARCFAAE-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.32
Rot. Bonds4

About methyl 3-ethylsulfinylpropanoate

methyl 3-ethylsulfinylpropanoate (PubChem CID 61303551) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is methyl 3-ethylsulfinylpropanoate.

Molecular Properties

Compound Namemethyl 3-ethylsulfinylpropanoate
PubChem CID61303551
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Namemethyl 3-ethylsulfinylpropanoate
SMILESCCS(=O)CCC(=O)OC
InChIInChI=1S/C6H12O3S/c1-3-10(8)5-4-6(7)9-2/h3-5H2,1-2H3
InChIKeyVWOZRYDARCFAAE-UHFFFAOYSA-N
XLogP0.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 8-ethylsulfinyloctanoate
CID 101238257
methyl 3-butylsulfinylpropanoate
CID 61301796
chromium;methyl butanoate
CID 174781983
methyl butanoate;tetrahydrochloride
CID 173289582
CID 171374935
CID 171374935
7-methoxy-7-oxoheptane-1-sulfinic acid
CID 57101482
methyl 3-chloropropanoate;sulfurous acid
CID 174657219
methyl 3-cyclohexylsulfinylpropanoate
CID 61301801
dimethyl hexanedioate;stannane
CID 173290076
dimethyl pentanedioate;hydrochloride
CID 175168861
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethylsulfinylpropanoate?
The IUPAC name of methyl 3-ethylsulfinylpropanoate (CID 61303551) is methyl 3-ethylsulfinylpropanoate.
What is the SMILES notation for methyl 3-ethylsulfinylpropanoate?
The canonical SMILES for methyl 3-ethylsulfinylpropanoate is CCS(=O)CCC(=O)OC.
What is the InChIKey of methyl 3-ethylsulfinylpropanoate?
The InChIKey is VWOZRYDARCFAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-3-10(8)5-4-6(7)9-2/h3-5H2,1-2H3.
What are the key properties of methyl 3-ethylsulfinylpropanoate?
methyl 3-ethylsulfinylpropanoate has a molecular weight of 164.23 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethylsulfinylpropanoate is sourced from PubChem (CID 61303551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).