4-(3-methylsulfanylphenyl)-1H-pyridin-2-one

C12H11NOS — CID 53217782

IUPAC4-(3-methylsulfanylphenyl)-1H-pyridin-2-one
SMILESCSc1cccc(-c2cc[nH]c(=O)c2)c1
InChIInChI=1S/C12H11NOS/c1-15-11-4-2-3-9(7-11)10-5-6-13-12(14)8-10/h2-8H,1H3,(H,13,14)
InChIKeyRHLHAFPMYLMAHL-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.76
Rot. Bonds2

About 4-(3-methylsulfanylphenyl)-1H-pyridin-2-one

4-(3-methylsulfanylphenyl)-1H-pyridin-2-one (PubChem CID 53217782) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 4-(3-methylsulfanylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3-methylsulfanylphenyl)-1H-pyridin-2-one
PubChem CID53217782
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name4-(3-methylsulfanylphenyl)-1H-pyridin-2-one
SMILESCSc1cccc(-c2cc[nH]c(=O)c2)c1
InChIInChI=1S/C12H11NOS/c1-15-11-4-2-3-9(7-11)10-5-6-13-12(14)8-10/h2-8H,1H3,(H,13,14)
InChIKeyRHLHAFPMYLMAHL-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-(3-methylsulfanylphenyl)-1H-pyridin-2-one?
The IUPAC name of 4-(3-methylsulfanylphenyl)-1H-pyridin-2-one (CID 53217782) is 4-(3-methylsulfanylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(3-methylsulfanylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(3-methylsulfanylphenyl)-1H-pyridin-2-one is CSc1cccc(-c2cc[nH]c(=O)c2)c1.
What is the InChIKey of 4-(3-methylsulfanylphenyl)-1H-pyridin-2-one?
The InChIKey is RHLHAFPMYLMAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-15-11-4-2-3-9(7-11)10-5-6-13-12(14)8-10/h2-8H,1H3,(H,13,14).
What are the key properties of 4-(3-methylsulfanylphenyl)-1H-pyridin-2-one?
4-(3-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-(3-methylsulfanylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 53217782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).