4-pyrazin-2-ylsulfanylbutan-2-one

C8H10N2OS — CID 63381380

IUPAC4-pyrazin-2-ylsulfanylbutan-2-one
SMILESCC(=O)CCSc1cnccn1
InChIInChI=1S/C8H10N2OS/c1-7(11)2-5-12-8-6-9-3-4-10-8/h3-4,6H,2,5H2,1H3
InChIKeyVVZPTTMGRHBJAM-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.55
Rot. Bonds4

About 4-pyrazin-2-ylsulfanylbutan-2-one

4-pyrazin-2-ylsulfanylbutan-2-one (PubChem CID 63381380) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 4-pyrazin-2-ylsulfanylbutan-2-one.

Molecular Properties

Compound Name4-pyrazin-2-ylsulfanylbutan-2-one
PubChem CID63381380
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name4-pyrazin-2-ylsulfanylbutan-2-one
SMILESCC(=O)CCSc1cnccn1
InChIInChI=1S/C8H10N2OS/c1-7(11)2-5-12-8-6-9-3-4-10-8/h3-4,6H,2,5H2,1H3
InChIKeyVVZPTTMGRHBJAM-UHFFFAOYSA-N
XLogP1.55
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazin-2-ylsulfanylbutan-2-one?
The IUPAC name of 4-pyrazin-2-ylsulfanylbutan-2-one (CID 63381380) is 4-pyrazin-2-ylsulfanylbutan-2-one.
What is the SMILES notation for 4-pyrazin-2-ylsulfanylbutan-2-one?
The canonical SMILES for 4-pyrazin-2-ylsulfanylbutan-2-one is CC(=O)CCSc1cnccn1.
What is the InChIKey of 4-pyrazin-2-ylsulfanylbutan-2-one?
The InChIKey is VVZPTTMGRHBJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-7(11)2-5-12-8-6-9-3-4-10-8/h3-4,6H,2,5H2,1H3.
What are the key properties of 4-pyrazin-2-ylsulfanylbutan-2-one?
4-pyrazin-2-ylsulfanylbutan-2-one has a molecular weight of 182.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazin-2-ylsulfanylbutan-2-one is sourced from PubChem (CID 63381380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).