6-(2,3-difluoro-4-methylphenyl)-1H-pyrazine-2-thione

C11H8F2N2S — CID 107516793

IUPAC6-(2,3-difluoro-4-methylphenyl)-1H-pyrazine-2-thione
SMILESCc1ccc(-c2cncc(=S)[nH]2)c(F)c1F
InChIInChI=1S/C11H8F2N2S/c1-6-2-3-7(11(13)10(6)12)8-4-14-5-9(16)15-8/h2-5H,1H3,(H,15,16)
InChIKeyREEMYHIOGNBUNS-UHFFFAOYSA-N
MW238.26 g/mol
LogP3.39
Rot. Bonds1

About 6-(2,3-difluoro-4-methylphenyl)-1H-pyrazine-2-thione

6-(2,3-difluoro-4-methylphenyl)-1H-pyrazine-2-thione (PubChem CID 107516793) has the molecular formula C11H8F2N2S and a molecular weight of 238.26 g/mol. Its IUPAC name is 6-(2,3-difluoro-4-methylphenyl)-1H-pyrazine-2-thione.

Molecular Properties

Compound Name6-(2,3-difluoro-4-methylphenyl)-1H-pyrazine-2-thione
PubChem CID107516793
Molecular FormulaC11H8F2N2S
Molecular Weight238.26 g/mol
Exact Mass238.04
IUPAC Name6-(2,3-difluoro-4-methylphenyl)-1H-pyrazine-2-thione
SMILESCc1ccc(-c2cncc(=S)[nH]2)c(F)c1F
InChIInChI=1S/C11H8F2N2S/c1-6-2-3-7(11(13)10(6)12)8-4-14-5-9(16)15-8/h2-5H,1H3,(H,15,16)
InChIKeyREEMYHIOGNBUNS-UHFFFAOYSA-N
XLogP3.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluoro-4-methylphenyl)-1H-pyrazine-2-thione?
The IUPAC name of 6-(2,3-difluoro-4-methylphenyl)-1H-pyrazine-2-thione (CID 107516793) is 6-(2,3-difluoro-4-methylphenyl)-1H-pyrazine-2-thione.
What is the SMILES notation for 6-(2,3-difluoro-4-methylphenyl)-1H-pyrazine-2-thione?
The canonical SMILES for 6-(2,3-difluoro-4-methylphenyl)-1H-pyrazine-2-thione is Cc1ccc(-c2cncc(=S)[nH]2)c(F)c1F.
What is the InChIKey of 6-(2,3-difluoro-4-methylphenyl)-1H-pyrazine-2-thione?
The InChIKey is REEMYHIOGNBUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2S/c1-6-2-3-7(11(13)10(6)12)8-4-14-5-9(16)15-8/h2-5H,1H3,(H,15,16).
What are the key properties of 6-(2,3-difluoro-4-methylphenyl)-1H-pyrazine-2-thione?
6-(2,3-difluoro-4-methylphenyl)-1H-pyrazine-2-thione has a molecular weight of 238.26 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluoro-4-methylphenyl)-1H-pyrazine-2-thione is sourced from PubChem (CID 107516793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).