4-(2-methylsulfanylphenyl)-1H-pyridin-2-one

C12H11NOS — CID 53217776

IUPAC4-(2-methylsulfanylphenyl)-1H-pyridin-2-one
SMILESCSc1ccccc1-c1cc[nH]c(=O)c1
InChIInChI=1S/C12H11NOS/c1-15-11-5-3-2-4-10(11)9-6-7-13-12(14)8-9/h2-8H,1H3,(H,13,14)
InChIKeyDIJKXUVCCYWDBY-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.76
Rot. Bonds2

About 4-(2-methylsulfanylphenyl)-1H-pyridin-2-one

4-(2-methylsulfanylphenyl)-1H-pyridin-2-one (PubChem CID 53217776) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 4-(2-methylsulfanylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2-methylsulfanylphenyl)-1H-pyridin-2-one
PubChem CID53217776
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name4-(2-methylsulfanylphenyl)-1H-pyridin-2-one
SMILESCSc1ccccc1-c1cc[nH]c(=O)c1
InChIInChI=1S/C12H11NOS/c1-15-11-5-3-2-4-10(11)9-6-7-13-12(14)8-9/h2-8H,1H3,(H,13,14)
InChIKeyDIJKXUVCCYWDBY-UHFFFAOYSA-N
XLogP2.76
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfanylphenyl)-1H-pyridin-2-one?
The IUPAC name of 4-(2-methylsulfanylphenyl)-1H-pyridin-2-one (CID 53217776) is 4-(2-methylsulfanylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(2-methylsulfanylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(2-methylsulfanylphenyl)-1H-pyridin-2-one is CSc1ccccc1-c1cc[nH]c(=O)c1.
What is the InChIKey of 4-(2-methylsulfanylphenyl)-1H-pyridin-2-one?
The InChIKey is DIJKXUVCCYWDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-15-11-5-3-2-4-10(11)9-6-7-13-12(14)8-9/h2-8H,1H3,(H,13,14).
What are the key properties of 4-(2-methylsulfanylphenyl)-1H-pyridin-2-one?
4-(2-methylsulfanylphenyl)-1H-pyridin-2-one has a molecular weight of 217.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfanylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 53217776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).