3-(2-methylphenyl)sulfanyl-1H-pyridin-2-one

C12H11NOS — CID 162405584

IUPAC3-(2-methylphenyl)sulfanyl-1H-pyridin-2-one
SMILESCc1ccccc1Sc1ccc[nH]c1=O
InChIInChI=1S/C12H11NOS/c1-9-5-2-3-6-10(9)15-11-7-4-8-13-12(11)14/h2-8H,1H3,(H,13,14)
InChIKeyXHZRXDBOXVGVGR-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.83
Rot. Bonds2

About 3-(2-methylphenyl)sulfanyl-1H-pyridin-2-one

3-(2-methylphenyl)sulfanyl-1H-pyridin-2-one (PubChem CID 162405584) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-(2-methylphenyl)sulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2-methylphenyl)sulfanyl-1H-pyridin-2-one
PubChem CID162405584
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name3-(2-methylphenyl)sulfanyl-1H-pyridin-2-one
SMILESCc1ccccc1Sc1ccc[nH]c1=O
InChIInChI=1S/C12H11NOS/c1-9-5-2-3-6-10(9)15-11-7-4-8-13-12(11)14/h2-8H,1H3,(H,13,14)
InChIKeyXHZRXDBOXVGVGR-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)sulfanyl-1H-pyridin-2-one?
The IUPAC name of 3-(2-methylphenyl)sulfanyl-1H-pyridin-2-one (CID 162405584) is 3-(2-methylphenyl)sulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(2-methylphenyl)sulfanyl-1H-pyridin-2-one?
The canonical SMILES for 3-(2-methylphenyl)sulfanyl-1H-pyridin-2-one is Cc1ccccc1Sc1ccc[nH]c1=O.
What is the InChIKey of 3-(2-methylphenyl)sulfanyl-1H-pyridin-2-one?
The InChIKey is XHZRXDBOXVGVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-9-5-2-3-6-10(9)15-11-7-4-8-13-12(11)14/h2-8H,1H3,(H,13,14).
What are the key properties of 3-(2-methylphenyl)sulfanyl-1H-pyridin-2-one?
3-(2-methylphenyl)sulfanyl-1H-pyridin-2-one has a molecular weight of 217.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)sulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 162405584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).