3-(ethylsulfinylmethyl)-1,2-oxazole

C6H9NO2S — CID 59155031

IUPAC3-(ethylsulfinylmethyl)-1,2-oxazole
SMILESCCS(=O)Cc1ccon1
InChIInChI=1S/C6H9NO2S/c1-2-10(8)5-6-3-4-9-7-6/h3-4H,2,5H2,1H3
InChIKeyYXJSSPBSRWZOMO-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.94
Rot. Bonds3

About 3-(ethylsulfinylmethyl)-1,2-oxazole

3-(ethylsulfinylmethyl)-1,2-oxazole (PubChem CID 59155031) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 3-(ethylsulfinylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(ethylsulfinylmethyl)-1,2-oxazole
PubChem CID59155031
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name3-(ethylsulfinylmethyl)-1,2-oxazole
SMILESCCS(=O)Cc1ccon1
InChIInChI=1S/C6H9NO2S/c1-2-10(8)5-6-3-4-9-7-6/h3-4H,2,5H2,1H3
InChIKeyYXJSSPBSRWZOMO-UHFFFAOYSA-N
XLogP0.94
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfinylmethyl)-1,2-oxazole?
The IUPAC name of 3-(ethylsulfinylmethyl)-1,2-oxazole (CID 59155031) is 3-(ethylsulfinylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-(ethylsulfinylmethyl)-1,2-oxazole?
The canonical SMILES for 3-(ethylsulfinylmethyl)-1,2-oxazole is CCS(=O)Cc1ccon1.
What is the InChIKey of 3-(ethylsulfinylmethyl)-1,2-oxazole?
The InChIKey is YXJSSPBSRWZOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-2-10(8)5-6-3-4-9-7-6/h3-4H,2,5H2,1H3.
What are the key properties of 3-(ethylsulfinylmethyl)-1,2-oxazole?
3-(ethylsulfinylmethyl)-1,2-oxazole has a molecular weight of 159.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfinylmethyl)-1,2-oxazole is sourced from PubChem (CID 59155031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).