1-pyrazin-2-ylsulfanylpropan-2-one

C7H8N2OS — CID 63381746

IUPAC1-pyrazin-2-ylsulfanylpropan-2-one
SMILESCC(=O)CSc1cnccn1
InChIInChI=1S/C7H8N2OS/c1-6(10)5-11-7-4-8-2-3-9-7/h2-4H,5H2,1H3
InChIKeyAGBBYWDAJMVEAO-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.16
Rot. Bonds3

About 1-pyrazin-2-ylsulfanylpropan-2-one

1-pyrazin-2-ylsulfanylpropan-2-one (PubChem CID 63381746) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 1-pyrazin-2-ylsulfanylpropan-2-one.

Molecular Properties

Compound Name1-pyrazin-2-ylsulfanylpropan-2-one
PubChem CID63381746
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name1-pyrazin-2-ylsulfanylpropan-2-one
SMILESCC(=O)CSc1cnccn1
InChIInChI=1S/C7H8N2OS/c1-6(10)5-11-7-4-8-2-3-9-7/h2-4H,5H2,1H3
InChIKeyAGBBYWDAJMVEAO-UHFFFAOYSA-N
XLogP1.16
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-ylsulfanylpropan-2-one?
The IUPAC name of 1-pyrazin-2-ylsulfanylpropan-2-one (CID 63381746) is 1-pyrazin-2-ylsulfanylpropan-2-one.
What is the SMILES notation for 1-pyrazin-2-ylsulfanylpropan-2-one?
The canonical SMILES for 1-pyrazin-2-ylsulfanylpropan-2-one is CC(=O)CSc1cnccn1.
What is the InChIKey of 1-pyrazin-2-ylsulfanylpropan-2-one?
The InChIKey is AGBBYWDAJMVEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-6(10)5-11-7-4-8-2-3-9-7/h2-4H,5H2,1H3.
What are the key properties of 1-pyrazin-2-ylsulfanylpropan-2-one?
1-pyrazin-2-ylsulfanylpropan-2-one has a molecular weight of 168.22 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-ylsulfanylpropan-2-one is sourced from PubChem (CID 63381746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).