1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanol

C12H11FN2OS — CID 63835439

IUPAC1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanol
SMILESCC(O)c1ccc(Sc2cnccn2)c(F)c1
InChIInChI=1S/C12H11FN2OS/c1-8(16)9-2-3-11(10(13)6-9)17-12-7-14-4-5-15-12/h2-8,16H,1H3
InChIKeyOCYIVLDTYPVSJX-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.82
Rot. Bonds3

About 1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanol

1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanol (PubChem CID 63835439) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanol
PubChem CID63835439
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanol
SMILESCC(O)c1ccc(Sc2cnccn2)c(F)c1
InChIInChI=1S/C12H11FN2OS/c1-8(16)9-2-3-11(10(13)6-9)17-12-7-14-4-5-15-12/h2-8,16H,1H3
InChIKeyOCYIVLDTYPVSJX-UHFFFAOYSA-N
XLogP2.82
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanol?
The IUPAC name of 1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanol (CID 63835439) is 1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanol.
What is the SMILES notation for 1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanol?
The canonical SMILES for 1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanol is CC(O)c1ccc(Sc2cnccn2)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanol?
The InChIKey is OCYIVLDTYPVSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-8(16)9-2-3-11(10(13)6-9)17-12-7-14-4-5-15-12/h2-8,16H,1H3.
What are the key properties of 1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanol?
1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanol has a molecular weight of 250.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanol is sourced from PubChem (CID 63835439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).