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

C16H18N2S — CID 106522370

IUPAC3-(2-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
SMILESCc1nc(-c2ccccc2C2CCC2)c(=S)[nH]c1C
InChIInChI=1S/C16H18N2S/c1-10-11(2)18-16(19)15(17-10)14-9-4-3-8-13(14)12-6-5-7-12/h3-4,8-9,12H,5-7H2,1-2H3,(H,18,19)
InChIKeyODNDSOYAFPTQOJ-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.69
Rot. Bonds2

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

3-(2-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione (PubChem CID 106522370) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-(2-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione.

Molecular Properties

Compound Name3-(2-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
PubChem CID106522370
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name3-(2-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
SMILESCc1nc(-c2ccccc2C2CCC2)c(=S)[nH]c1C
InChIInChI=1S/C16H18N2S/c1-10-11(2)18-16(19)15(17-10)14-9-4-3-8-13(14)12-6-5-7-12/h3-4,8-9,12H,5-7H2,1-2H3,(H,18,19)
InChIKeyODNDSOYAFPTQOJ-UHFFFAOYSA-N
XLogP4.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.69
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 3-(2-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione?
The IUPAC name of 3-(2-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione (CID 106522370) is 3-(2-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione.
What is the SMILES notation for 3-(2-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione?
The canonical SMILES for 3-(2-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione is Cc1nc(-c2ccccc2C2CCC2)c(=S)[nH]c1C.
What is the InChIKey of 3-(2-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione?
The InChIKey is ODNDSOYAFPTQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-10-11(2)18-16(19)15(17-10)14-9-4-3-8-13(14)12-6-5-7-12/h3-4,8-9,12H,5-7H2,1-2H3,(H,18,19).
What are the key properties of 3-(2-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione?
3-(2-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione has a molecular weight of 270.40 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione is sourced from PubChem (CID 106522370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).