3-ethylsulfanyl-1H-pyridin-2-one

C7H9NOS — CID 119094422

IUPAC3-ethylsulfanyl-1H-pyridin-2-one
SMILESCCSc1ccc[nH]c1=O
InChIInChI=1S/C7H9NOS/c1-2-10-6-4-3-5-8-7(6)9/h3-5H,2H2,1H3,(H,8,9)
InChIKeyXDLYBXIAVDXHAO-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.49
Rot. Bonds2

About 3-ethylsulfanyl-1H-pyridin-2-one

3-ethylsulfanyl-1H-pyridin-2-one (PubChem CID 119094422) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 3-ethylsulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethylsulfanyl-1H-pyridin-2-one
PubChem CID119094422
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name3-ethylsulfanyl-1H-pyridin-2-one
SMILESCCSc1ccc[nH]c1=O
InChIInChI=1S/C7H9NOS/c1-2-10-6-4-3-5-8-7(6)9/h3-5H,2H2,1H3,(H,8,9)
InChIKeyXDLYBXIAVDXHAO-UHFFFAOYSA-N
XLogP1.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-1H-pyridin-2-one?
The IUPAC name of 3-ethylsulfanyl-1H-pyridin-2-one (CID 119094422) is 3-ethylsulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 3-ethylsulfanyl-1H-pyridin-2-one?
The canonical SMILES for 3-ethylsulfanyl-1H-pyridin-2-one is CCSc1ccc[nH]c1=O.
What is the InChIKey of 3-ethylsulfanyl-1H-pyridin-2-one?
The InChIKey is XDLYBXIAVDXHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-2-10-6-4-3-5-8-7(6)9/h3-5H,2H2,1H3,(H,8,9).
What are the key properties of 3-ethylsulfanyl-1H-pyridin-2-one?
3-ethylsulfanyl-1H-pyridin-2-one has a molecular weight of 155.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 119094422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).