6-(2,3-dimethylphenyl)-1H-pyrazine-2-thione

C12H12N2S — CID 106516567

IUPAC6-(2,3-dimethylphenyl)-1H-pyrazine-2-thione
SMILESCc1cccc(-c2cncc(=S)[nH]2)c1C
InChIInChI=1S/C12H12N2S/c1-8-4-3-5-10(9(8)2)11-6-13-7-12(15)14-11/h3-7H,1-2H3,(H,14,15)
InChIKeyYBSLUUIUYFWLFB-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.42
Rot. Bonds1

About 6-(2,3-dimethylphenyl)-1H-pyrazine-2-thione

6-(2,3-dimethylphenyl)-1H-pyrazine-2-thione (PubChem CID 106516567) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 6-(2,3-dimethylphenyl)-1H-pyrazine-2-thione.

Molecular Properties

Compound Name6-(2,3-dimethylphenyl)-1H-pyrazine-2-thione
PubChem CID106516567
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name6-(2,3-dimethylphenyl)-1H-pyrazine-2-thione
SMILESCc1cccc(-c2cncc(=S)[nH]2)c1C
InChIInChI=1S/C12H12N2S/c1-8-4-3-5-10(9(8)2)11-6-13-7-12(15)14-11/h3-7H,1-2H3,(H,14,15)
InChIKeyYBSLUUIUYFWLFB-UHFFFAOYSA-N
XLogP3.42
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.42
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-dimethylphenyl)-1H-pyrazine-2-thione?
The IUPAC name of 6-(2,3-dimethylphenyl)-1H-pyrazine-2-thione (CID 106516567) is 6-(2,3-dimethylphenyl)-1H-pyrazine-2-thione.
What is the SMILES notation for 6-(2,3-dimethylphenyl)-1H-pyrazine-2-thione?
The canonical SMILES for 6-(2,3-dimethylphenyl)-1H-pyrazine-2-thione is Cc1cccc(-c2cncc(=S)[nH]2)c1C.
What is the InChIKey of 6-(2,3-dimethylphenyl)-1H-pyrazine-2-thione?
The InChIKey is YBSLUUIUYFWLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-8-4-3-5-10(9(8)2)11-6-13-7-12(15)14-11/h3-7H,1-2H3,(H,14,15).
What are the key properties of 6-(2,3-dimethylphenyl)-1H-pyrazine-2-thione?
6-(2,3-dimethylphenyl)-1H-pyrazine-2-thione has a molecular weight of 216.31 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylphenyl)-1H-pyrazine-2-thione is sourced from PubChem (CID 106516567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).