2-(ethylsulfinylmethyl)-5-hydroxypyran-4-one

C8H10O4S — CID 142711713

IUPAC2-(ethylsulfinylmethyl)-5-hydroxypyran-4-one
SMILESCCS(=O)Cc1cc(=O)c(O)co1
InChIInChI=1S/C8H10O4S/c1-2-13(11)5-6-3-7(9)8(10)4-12-6/h3-4,10H,2,5H2,1H3
InChIKeyAUIRFQYHRQVIJR-UHFFFAOYSA-N
MW202.23 g/mol
LogP0.61
Rot. Bonds3

About 2-(ethylsulfinylmethyl)-5-hydroxypyran-4-one

2-(ethylsulfinylmethyl)-5-hydroxypyran-4-one (PubChem CID 142711713) has the molecular formula C8H10O4S and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-(ethylsulfinylmethyl)-5-hydroxypyran-4-one.

Molecular Properties

Compound Name2-(ethylsulfinylmethyl)-5-hydroxypyran-4-one
PubChem CID142711713
Molecular FormulaC8H10O4S
Molecular Weight202.23 g/mol
Exact Mass202.03
IUPAC Name2-(ethylsulfinylmethyl)-5-hydroxypyran-4-one
SMILESCCS(=O)Cc1cc(=O)c(O)co1
InChIInChI=1S/C8H10O4S/c1-2-13(11)5-6-3-7(9)8(10)4-12-6/h3-4,10H,2,5H2,1H3
InChIKeyAUIRFQYHRQVIJR-UHFFFAOYSA-N
XLogP0.61
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfinylmethyl)-5-hydroxypyran-4-one?
The IUPAC name of 2-(ethylsulfinylmethyl)-5-hydroxypyran-4-one (CID 142711713) is 2-(ethylsulfinylmethyl)-5-hydroxypyran-4-one.
What is the SMILES notation for 2-(ethylsulfinylmethyl)-5-hydroxypyran-4-one?
The canonical SMILES for 2-(ethylsulfinylmethyl)-5-hydroxypyran-4-one is CCS(=O)Cc1cc(=O)c(O)co1.
What is the InChIKey of 2-(ethylsulfinylmethyl)-5-hydroxypyran-4-one?
The InChIKey is AUIRFQYHRQVIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4S/c1-2-13(11)5-6-3-7(9)8(10)4-12-6/h3-4,10H,2,5H2,1H3.
What are the key properties of 2-(ethylsulfinylmethyl)-5-hydroxypyran-4-one?
2-(ethylsulfinylmethyl)-5-hydroxypyran-4-one has a molecular weight of 202.23 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfinylmethyl)-5-hydroxypyran-4-one is sourced from PubChem (CID 142711713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).