3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one

C8H9NOS — CID 143455098

IUPAC3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one
SMILESC=CSc1c(C)[nH]ccc1=O
InChIInChI=1S/C8H9NOS/c1-3-11-8-6(2)9-5-4-7(8)10/h3-5H,1H2,2H3,(H,9,10)
InChIKeyCMGWPJAIOMACTI-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.92
Rot. Bonds2

About 3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one

3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one (PubChem CID 143455098) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one
PubChem CID143455098
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one
SMILESC=CSc1c(C)[nH]ccc1=O
InChIInChI=1S/C8H9NOS/c1-3-11-8-6(2)9-5-4-7(8)10/h3-5H,1H2,2H3,(H,9,10)
InChIKeyCMGWPJAIOMACTI-UHFFFAOYSA-N
XLogP1.92
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one?
The IUPAC name of 3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one (CID 143455098) is 3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one is C=CSc1c(C)[nH]ccc1=O.
What is the InChIKey of 3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one?
The InChIKey is CMGWPJAIOMACTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c1-3-11-8-6(2)9-5-4-7(8)10/h3-5H,1H2,2H3,(H,9,10).
What are the key properties of 3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one?
3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one has a molecular weight of 167.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 143455098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).