6-methylsulfanyl-1H-pyridin-2-one

C6H7NOS — CID 45079969

IUPAC6-methylsulfanyl-1H-pyridin-2-one
SMILESCSc1cccc(=O)[nH]1
InChIInChI=1S/C6H7NOS/c1-9-6-4-2-3-5(8)7-6/h2-4H,1H3,(H,7,8)
InChIKeyKQVQDDHVAADXMD-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.10
Rot. Bonds1

About 6-methylsulfanyl-1H-pyridin-2-one

6-methylsulfanyl-1H-pyridin-2-one (PubChem CID 45079969) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is 6-methylsulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methylsulfanyl-1H-pyridin-2-one
PubChem CID45079969
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC Name6-methylsulfanyl-1H-pyridin-2-one
SMILESCSc1cccc(=O)[nH]1
InChIInChI=1S/C6H7NOS/c1-9-6-4-2-3-5(8)7-6/h2-4H,1H3,(H,7,8)
InChIKeyKQVQDDHVAADXMD-UHFFFAOYSA-N
XLogP1.10
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methylsulfanyl-1H-pyridin-2-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 6-methylsulfanyl-1H-pyridin-2-one?
The IUPAC name of 6-methylsulfanyl-1H-pyridin-2-one (CID 45079969) is 6-methylsulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 6-methylsulfanyl-1H-pyridin-2-one?
The canonical SMILES for 6-methylsulfanyl-1H-pyridin-2-one is CSc1cccc(=O)[nH]1.
What is the InChIKey of 6-methylsulfanyl-1H-pyridin-2-one?
The InChIKey is KQVQDDHVAADXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS/c1-9-6-4-2-3-5(8)7-6/h2-4H,1H3,(H,7,8).
What are the key properties of 6-methylsulfanyl-1H-pyridin-2-one?
6-methylsulfanyl-1H-pyridin-2-one has a molecular weight of 141.19 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 45079969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).