2-(4-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanone

C12H9FN2OS — CID 66070961

IUPAC2-(4-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanone
SMILESO=C(CSc1ccc(F)cc1)c1cnccn1
InChIInChI=1S/C12H9FN2OS/c13-9-1-3-10(4-2-9)17-8-12(16)11-7-14-5-6-15-11/h1-7H,8H2
InChIKeyDCDCIHWFUHCSMV-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.59
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanone

2-(4-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanone (PubChem CID 66070961) has the molecular formula C12H9FN2OS and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanone
PubChem CID66070961
Molecular FormulaC12H9FN2OS
Molecular Weight248.28 g/mol
Exact Mass248.04
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanone
SMILESO=C(CSc1ccc(F)cc1)c1cnccn1
InChIInChI=1S/C12H9FN2OS/c13-9-1-3-10(4-2-9)17-8-12(16)11-7-14-5-6-15-11/h1-7H,8H2
InChIKeyDCDCIHWFUHCSMV-UHFFFAOYSA-N
XLogP2.59
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyrazine-2-carbothioic S-acid
CID 87249006
2-(2-methylpropylsulfanyl)-1-pyrazin-2-ylethanone
CID 65135320
2-(4-fluorophenyl)sulfanylacetate
CID 4115535
2-(4-fluorophenyl)sulfanyl-1-(3-pyrazin-2-yloxypyrrolidin-1-yl)ethanone
CID 90636191
2-butan-2-ylsulfanyl-1-pyrazin-2-ylethanone
CID 65136340
(E)-3-(4-fluorophenyl)-1-pyrazin-2-ylprop-2-en-1-one
CID 146001170
potassium 2-(4-fluorophenyl)sulfanylacetate
CID 23670823
1-(2-fluoro-5-methylphenyl)-2-(4-fluorophenyl)sulfanylethanone
CID 66070340
2-(2,3-difluorophenyl)-1-pyrazin-2-ylethanone
CID 62621724
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone
CID 43802304
2-(4-fluorophenyl)-2-hydroxy-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 134714283
2-(4-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707640

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanone?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanone (CID 66070961) is 2-(4-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanone.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanone?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanone is O=C(CSc1ccc(F)cc1)c1cnccn1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanone?
The InChIKey is DCDCIHWFUHCSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2OS/c13-9-1-3-10(4-2-9)17-8-12(16)11-7-14-5-6-15-11/h1-7H,8H2.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanone?
2-(4-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanone has a molecular weight of 248.28 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanone is sourced from PubChem (CID 66070961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).