2-(3-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol

C12H11FN2OS — CID 66070411

IUPAC2-(3-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol
SMILESOC(CSc1cccc(F)c1)c1cnccn1
InChIInChI=1S/C12H11FN2OS/c13-9-2-1-3-10(6-9)17-8-12(16)11-7-14-4-5-15-11/h1-7,12,16H,8H2
InChIKeyOXIQSGLRLONRMU-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.44
Rot. Bonds4

About 2-(3-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol

2-(3-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol (PubChem CID 66070411) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol
PubChem CID66070411
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name2-(3-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol
SMILESOC(CSc1cccc(F)c1)c1cnccn1
InChIInChI=1S/C12H11FN2OS/c13-9-2-1-3-10(6-9)17-8-12(16)11-7-14-4-5-15-11/h1-7,12,16H,8H2
InChIKeyOXIQSGLRLONRMU-UHFFFAOYSA-N
XLogP2.44
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol
CID 66271190
2-(3-fluorophenyl)sulfanyl-1-isoquinolin-8-ylethanol
CID 103143443
2-(4-bromophenyl)sulfanyl-1-pyrazin-2-ylethanol
CID 66054291
1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 66072891
1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 107128528
2-(3-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanol
CID 66070414
2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol
CID 66160966
2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
CID 66071238
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)sulfanylethanol
CID 114644222
(1R)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
CID 81367215
(1S)-1-(3-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
CID 81365246

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol?
The IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol (CID 66070411) is 2-(3-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol.
What is the SMILES notation for 2-(3-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol?
The canonical SMILES for 2-(3-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol is OC(CSc1cccc(F)c1)c1cnccn1.
What is the InChIKey of 2-(3-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol?
The InChIKey is OXIQSGLRLONRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c13-9-2-1-3-10(6-9)17-8-12(16)11-7-14-4-5-15-11/h1-7,12,16H,8H2.
What are the key properties of 2-(3-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol?
2-(3-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol has a molecular weight of 250.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol is sourced from PubChem (CID 66070411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).