6-methyl-3-sulfanyl-1H-pyridin-2-one

C6H7NOS — CID 123440989

IUPAC6-methyl-3-sulfanyl-1H-pyridin-2-one
SMILESCc1ccc(S)c(=O)[nH]1
InChIInChI=1S/C6H7NOS/c1-4-2-3-5(9)6(8)7-4/h2-3,9H,1H3,(H,7,8)
InChIKeyFJQBSOVCXCSZIW-UHFFFAOYSA-N
MW141.19 g/mol
LogP0.97
Rot. Bonds

About 6-methyl-3-sulfanyl-1H-pyridin-2-one

6-methyl-3-sulfanyl-1H-pyridin-2-one (PubChem CID 123440989) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is 6-methyl-3-sulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-sulfanyl-1H-pyridin-2-one
PubChem CID123440989
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC Name6-methyl-3-sulfanyl-1H-pyridin-2-one
SMILESCc1ccc(S)c(=O)[nH]1
InChIInChI=1S/C6H7NOS/c1-4-2-3-5(9)6(8)7-4/h2-3,9H,1H3,(H,7,8)
InChIKeyFJQBSOVCXCSZIW-UHFFFAOYSA-N
XLogP0.97
TPSA32.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-sulfanyl-1H-pyridin-2-one?
The IUPAC name of 6-methyl-3-sulfanyl-1H-pyridin-2-one (CID 123440989) is 6-methyl-3-sulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-3-sulfanyl-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-3-sulfanyl-1H-pyridin-2-one is Cc1ccc(S)c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-sulfanyl-1H-pyridin-2-one?
The InChIKey is FJQBSOVCXCSZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS/c1-4-2-3-5(9)6(8)7-4/h2-3,9H,1H3,(H,7,8).
What are the key properties of 6-methyl-3-sulfanyl-1H-pyridin-2-one?
6-methyl-3-sulfanyl-1H-pyridin-2-one has a molecular weight of 141.19 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-sulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 123440989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).