3-(3-fluoro-2-methylphenyl)-1H-pyrazine-2-thione

C11H9FN2S — CID 106520172

IUPAC3-(3-fluoro-2-methylphenyl)-1H-pyrazine-2-thione
SMILESCc1c(F)cccc1-c1ncc[nH]c1=S
InChIInChI=1S/C11H9FN2S/c1-7-8(3-2-4-9(7)12)10-11(15)14-6-5-13-10/h2-6H,1H3,(H,14,15)
InChIKeyLYBLHQKMMIYVMF-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.25
Rot. Bonds1

About 3-(3-fluoro-2-methylphenyl)-1H-pyrazine-2-thione

3-(3-fluoro-2-methylphenyl)-1H-pyrazine-2-thione (PubChem CID 106520172) has the molecular formula C11H9FN2S and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(3-fluoro-2-methylphenyl)-1H-pyrazine-2-thione.

Molecular Properties

Compound Name3-(3-fluoro-2-methylphenyl)-1H-pyrazine-2-thione
PubChem CID106520172
Molecular FormulaC11H9FN2S
Molecular Weight220.27 g/mol
Exact Mass220.05
IUPAC Name3-(3-fluoro-2-methylphenyl)-1H-pyrazine-2-thione
SMILESCc1c(F)cccc1-c1ncc[nH]c1=S
InChIInChI=1S/C11H9FN2S/c1-7-8(3-2-4-9(7)12)10-11(15)14-6-5-13-10/h2-6H,1H3,(H,14,15)
InChIKeyLYBLHQKMMIYVMF-UHFFFAOYSA-N
XLogP3.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluoro-2-methylphenyl)-1H-imidazole
CID 55254600
3-(2-propoxyphenyl)-1H-pyrazine-2-thione
CID 106521586
3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazine-2-thione
CID 106521522
3-(4-methoxy-2-methylphenyl)-1H-pyrazine-2-thione
CID 106518637
3-(2,5-dichlorophenyl)-1H-pyrazine-2-thione
CID 106514930
2-[1-(3-fluoro-2-methylphenyl)ethyl]-1H-imidazole
CID 66771238
4-chloro-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidine
CID 115502906
6-(3-fluoro-2-methylphenyl)-5-methoxy-N-methylpyrimidin-4-amine
CID 115502976
3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazine-2-thione
CID 106521271
3-(2-chlorothiophen-3-yl)-1H-pyrazine-2-thione
CID 130705892
N-ethyl-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 115503017
1-fluoro-3-(4-fluorophenyl)-2-methylbenzene
CID 46313945

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-methylphenyl)-1H-pyrazine-2-thione?
The IUPAC name of 3-(3-fluoro-2-methylphenyl)-1H-pyrazine-2-thione (CID 106520172) is 3-(3-fluoro-2-methylphenyl)-1H-pyrazine-2-thione.
What is the SMILES notation for 3-(3-fluoro-2-methylphenyl)-1H-pyrazine-2-thione?
The canonical SMILES for 3-(3-fluoro-2-methylphenyl)-1H-pyrazine-2-thione is Cc1c(F)cccc1-c1ncc[nH]c1=S.
What is the InChIKey of 3-(3-fluoro-2-methylphenyl)-1H-pyrazine-2-thione?
The InChIKey is LYBLHQKMMIYVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2S/c1-7-8(3-2-4-9(7)12)10-11(15)14-6-5-13-10/h2-6H,1H3,(H,14,15).
What are the key properties of 3-(3-fluoro-2-methylphenyl)-1H-pyrazine-2-thione?
3-(3-fluoro-2-methylphenyl)-1H-pyrazine-2-thione has a molecular weight of 220.27 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-methylphenyl)-1H-pyrazine-2-thione is sourced from PubChem (CID 106520172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).