3-methylsulfanyl-1-phenylpyrazin-2-one

C11H10N2OS — CID 146074847

IUPAC3-methylsulfanyl-1-phenylpyrazin-2-one
SMILESCSc1nccn(-c2ccccc2)c1=O
InChIInChI=1S/C11H10N2OS/c1-15-10-11(14)13(8-7-12-10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyZMVGNWQYQSLCLN-UHFFFAOYSA-N
MW218.28 g/mol
LogP1.95
Rot. Bonds2

About 3-methylsulfanyl-1-phenylpyrazin-2-one

3-methylsulfanyl-1-phenylpyrazin-2-one (PubChem CID 146074847) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 3-methylsulfanyl-1-phenylpyrazin-2-one.

Molecular Properties

Compound Name3-methylsulfanyl-1-phenylpyrazin-2-one
PubChem CID146074847
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name3-methylsulfanyl-1-phenylpyrazin-2-one
SMILESCSc1nccn(-c2ccccc2)c1=O
InChIInChI=1S/C11H10N2OS/c1-15-10-11(14)13(8-7-12-10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyZMVGNWQYQSLCLN-UHFFFAOYSA-N
XLogP1.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1-phenylpyrazin-2-one?
The IUPAC name of 3-methylsulfanyl-1-phenylpyrazin-2-one (CID 146074847) is 3-methylsulfanyl-1-phenylpyrazin-2-one.
What is the SMILES notation for 3-methylsulfanyl-1-phenylpyrazin-2-one?
The canonical SMILES for 3-methylsulfanyl-1-phenylpyrazin-2-one is CSc1nccn(-c2ccccc2)c1=O.
What is the InChIKey of 3-methylsulfanyl-1-phenylpyrazin-2-one?
The InChIKey is ZMVGNWQYQSLCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-15-10-11(14)13(8-7-12-10)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 3-methylsulfanyl-1-phenylpyrazin-2-one?
3-methylsulfanyl-1-phenylpyrazin-2-one has a molecular weight of 218.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-phenylpyrazin-2-one is sourced from PubChem (CID 146074847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).