5,6-dimethyl-3-(2,4,6-trimethylphenyl)-1H-pyrazine-2-thione

C15H18N2S — CID 106520357

IUPAC5,6-dimethyl-3-(2,4,6-trimethylphenyl)-1H-pyrazine-2-thione
SMILESCc1cc(C)c(-c2nc(C)c(C)[nH]c2=S)c(C)c1
InChIInChI=1S/C15H18N2S/c1-8-6-9(2)13(10(3)7-8)14-15(18)17-12(5)11(4)16-14/h6-7H,1-5H3,(H,17,18)
InChIKeyLWLGKYNUUJTZFZ-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.35
Rot. Bonds1

About 5,6-dimethyl-3-(2,4,6-trimethylphenyl)-1H-pyrazine-2-thione

5,6-dimethyl-3-(2,4,6-trimethylphenyl)-1H-pyrazine-2-thione (PubChem CID 106520357) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2,4,6-trimethylphenyl)-1H-pyrazine-2-thione.

Molecular Properties

Compound Name5,6-dimethyl-3-(2,4,6-trimethylphenyl)-1H-pyrazine-2-thione
PubChem CID106520357
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name5,6-dimethyl-3-(2,4,6-trimethylphenyl)-1H-pyrazine-2-thione
SMILESCc1cc(C)c(-c2nc(C)c(C)[nH]c2=S)c(C)c1
InChIInChI=1S/C15H18N2S/c1-8-6-9(2)13(10(3)7-8)14-15(18)17-12(5)11(4)16-14/h6-7H,1-5H3,(H,17,18)
InChIKeyLWLGKYNUUJTZFZ-UHFFFAOYSA-N
XLogP4.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,6-dimethyl-3-(2,4,6-trimethylphenyl)-1H-pyrazine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dimethyl-2-(2,4,6-trimethylphenyl)-1H-imidazole
CID 118272345
2,5-dimethyl-4-(2,4,6-trimethylphenyl)-1H-imidazole
CID 22935263
3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 106884690
3-(4-methoxy-2,5-dimethylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
CID 106521275
3-(furan-3-yl)-5,6-dimethyl-1H-pyrazine-2-thione
CID 106518129
5-methyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-amine
CID 82113707
5,6-dimethyl-3-propan-2-yl-1H-pyrazine-2-thione
CID 106517899
3-(2-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
CID 106522370
2,4-dimethyl-6-(2,4,6-trimethylphenyl)pyrimidine-5-carboxylic acid
CID 82305985
4-(2-fluoro-4,6-dimethylphenyl)-6-methyl-1H-pyrimidine-2-thione
CID 106884676
2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione
CID 106520335
2-[2-propan-2-yl-4-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]ethanamine
CID 95474593

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(2,4,6-trimethylphenyl)-1H-pyrazine-2-thione?
The IUPAC name of 5,6-dimethyl-3-(2,4,6-trimethylphenyl)-1H-pyrazine-2-thione (CID 106520357) is 5,6-dimethyl-3-(2,4,6-trimethylphenyl)-1H-pyrazine-2-thione.
What is the SMILES notation for 5,6-dimethyl-3-(2,4,6-trimethylphenyl)-1H-pyrazine-2-thione?
The canonical SMILES for 5,6-dimethyl-3-(2,4,6-trimethylphenyl)-1H-pyrazine-2-thione is Cc1cc(C)c(-c2nc(C)c(C)[nH]c2=S)c(C)c1.
What is the InChIKey of 5,6-dimethyl-3-(2,4,6-trimethylphenyl)-1H-pyrazine-2-thione?
The InChIKey is LWLGKYNUUJTZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-8-6-9(2)13(10(3)7-8)14-15(18)17-12(5)11(4)16-14/h6-7H,1-5H3,(H,17,18).
What are the key properties of 5,6-dimethyl-3-(2,4,6-trimethylphenyl)-1H-pyrazine-2-thione?
5,6-dimethyl-3-(2,4,6-trimethylphenyl)-1H-pyrazine-2-thione has a molecular weight of 258.39 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(2,4,6-trimethylphenyl)-1H-pyrazine-2-thione is sourced from PubChem (CID 106520357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).