3-(ethylsulfanylmethyl)-1,2-oxazole

C6H9NOS — CID 59154906

IUPAC3-(ethylsulfanylmethyl)-1,2-oxazole
SMILESCCSCc1ccon1
InChIInChI=1S/C6H9NOS/c1-2-9-5-6-3-4-8-7-6/h3-4H,2,5H2,1H3
InChIKeyFIURFAPYBSITJE-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.93
Rot. Bonds3

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

3-(ethylsulfanylmethyl)-1,2-oxazole (PubChem CID 59154906) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is 3-(ethylsulfanylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(ethylsulfanylmethyl)-1,2-oxazole
PubChem CID59154906
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name3-(ethylsulfanylmethyl)-1,2-oxazole
SMILESCCSCc1ccon1
InChIInChI=1S/C6H9NOS/c1-2-9-5-6-3-4-8-7-6/h3-4H,2,5H2,1H3
InChIKeyFIURFAPYBSITJE-UHFFFAOYSA-N
XLogP1.93
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfanylmethyl)-1,2-oxazole?
The IUPAC name of 3-(ethylsulfanylmethyl)-1,2-oxazole (CID 59154906) is 3-(ethylsulfanylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-(ethylsulfanylmethyl)-1,2-oxazole?
The canonical SMILES for 3-(ethylsulfanylmethyl)-1,2-oxazole is CCSCc1ccon1.
What is the InChIKey of 3-(ethylsulfanylmethyl)-1,2-oxazole?
The InChIKey is FIURFAPYBSITJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-2-9-5-6-3-4-8-7-6/h3-4H,2,5H2,1H3.
What are the key properties of 3-(ethylsulfanylmethyl)-1,2-oxazole?
3-(ethylsulfanylmethyl)-1,2-oxazole has a molecular weight of 143.21 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfanylmethyl)-1,2-oxazole is sourced from PubChem (CID 59154906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).