1-phenyl-2-pyrazin-2-ylsulfanylethanone

C12H10N2OS — CID 63381108

IUPAC1-phenyl-2-pyrazin-2-ylsulfanylethanone
SMILESO=C(CSc1cnccn1)c1ccccc1
InChIInChI=1S/C12H10N2OS/c15-11(10-4-2-1-3-5-10)9-16-12-8-13-6-7-14-12/h1-8H,9H2
InChIKeyWYZZYKXTWBBCPV-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.45
Rot. Bonds4

About 1-phenyl-2-pyrazin-2-ylsulfanylethanone

1-phenyl-2-pyrazin-2-ylsulfanylethanone (PubChem CID 63381108) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-phenyl-2-pyrazin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-phenyl-2-pyrazin-2-ylsulfanylethanone
PubChem CID63381108
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name1-phenyl-2-pyrazin-2-ylsulfanylethanone
SMILESO=C(CSc1cnccn1)c1ccccc1
InChIInChI=1S/C12H10N2OS/c15-11(10-4-2-1-3-5-10)9-16-12-8-13-6-7-14-12/h1-8H,9H2
InChIKeyWYZZYKXTWBBCPV-UHFFFAOYSA-N
XLogP2.45
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-4-pyrazin-2-ylsulfanylbutan-1-one
CID 63381429
1-(3,4-dihydroxyphenyl)-2-pyrazin-2-ylsulfanylethanone
CID 63381744
1-phenyl-2-pyrimidin-4-ylsulfanylethanone
CID 63698362
1-(2,5-dichlorophenyl)-2-pyrazin-2-ylsulfanylethanone
CID 55249483
1-(3-bromothiophen-2-yl)-2-pyrazin-2-ylsulfanylethanone
CID 63381009
1-(2,5-dibromothiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone
CID 63407368
1-phenyl-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone
CID 7190931
methyl 2-phenyl-3-pyrazin-2-ylsulfanylpropanoate
CID 64566022
1-(1-methylpyrrol-3-yl)-2-pyridin-2-ylsulfanylethanone
CID 43218718
N-prop-2-ynyl-2-pyrazin-2-ylsulfanylacetamide
CID 79215620
1-phenyl-2-quinolin-8-ylsulfanylethanone
CID 23884541
1-(2-pyrazin-2-ylsulfanylacetyl)piperidin-4-one
CID 63381475

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-pyrazin-2-ylsulfanylethanone?
The IUPAC name of 1-phenyl-2-pyrazin-2-ylsulfanylethanone (CID 63381108) is 1-phenyl-2-pyrazin-2-ylsulfanylethanone.
What is the SMILES notation for 1-phenyl-2-pyrazin-2-ylsulfanylethanone?
The canonical SMILES for 1-phenyl-2-pyrazin-2-ylsulfanylethanone is O=C(CSc1cnccn1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-pyrazin-2-ylsulfanylethanone?
The InChIKey is WYZZYKXTWBBCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c15-11(10-4-2-1-3-5-10)9-16-12-8-13-6-7-14-12/h1-8H,9H2.
What are the key properties of 1-phenyl-2-pyrazin-2-ylsulfanylethanone?
1-phenyl-2-pyrazin-2-ylsulfanylethanone has a molecular weight of 230.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-pyrazin-2-ylsulfanylethanone is sourced from PubChem (CID 63381108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).