5-(4-cyclobutylphenyl)-1H-pyrazine-2-thione

C14H14N2S — CID 112754923

IUPAC5-(4-cyclobutylphenyl)-1H-pyrazine-2-thione
SMILESS=c1cnc(-c2ccc(C3CCC3)cc2)c[nH]1
InChIInChI=1S/C14H14N2S/c17-14-9-15-13(8-16-14)12-6-4-11(5-7-12)10-2-1-3-10/h4-10H,1-3H2,(H,16,17)
InChIKeyRNHUGMRCOFLBKD-UHFFFAOYSA-N
MW242.35 g/mol
LogP4.07
Rot. Bonds2

About 5-(4-cyclobutylphenyl)-1H-pyrazine-2-thione

5-(4-cyclobutylphenyl)-1H-pyrazine-2-thione (PubChem CID 112754923) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 5-(4-cyclobutylphenyl)-1H-pyrazine-2-thione.

Molecular Properties

Compound Name5-(4-cyclobutylphenyl)-1H-pyrazine-2-thione
PubChem CID112754923
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name5-(4-cyclobutylphenyl)-1H-pyrazine-2-thione
SMILESS=c1cnc(-c2ccc(C3CCC3)cc2)c[nH]1
InChIInChI=1S/C14H14N2S/c17-14-9-15-13(8-16-14)12-6-4-11(5-7-12)10-2-1-3-10/h4-10H,1-3H2,(H,16,17)
InChIKeyRNHUGMRCOFLBKD-UHFFFAOYSA-N
XLogP4.07
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 54.07
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

6-(4-cyclobutylphenyl)-5-fluoro-1H-pyrimidine-2-thione
CID 106521756
1-cyclobutyl-4-iodobenzene
CID 155973384
6-(4-cyclobutylphenyl)-1H-pyridine-2-thione
CID 106521765
3-(3-cyclobutylphenyl)-1H-pyrazine-2-thione
CID 106522498
6-(4-cyclohexylphenyl)pyridine-3-carboxamide
CID 174740670
5-cycloheptyl-1H-pyrimidine-2-thione
CID 13164001
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
6-(4-cyclobutylphenyl)pyridine-2-carboxamide
CID 144717319
6-(4-cyclobutylphenyl)-2-ethyl-1H-pyrimidine-4-thione
CID 106521767
4-chloro-6-(4-cyclobutylphenyl)-2-methylpyrimidine
CID 116506889
nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclobutylphenyl)-1H-pyrazine-2-thione?
The IUPAC name of 5-(4-cyclobutylphenyl)-1H-pyrazine-2-thione (CID 112754923) is 5-(4-cyclobutylphenyl)-1H-pyrazine-2-thione.
What is the SMILES notation for 5-(4-cyclobutylphenyl)-1H-pyrazine-2-thione?
The canonical SMILES for 5-(4-cyclobutylphenyl)-1H-pyrazine-2-thione is S=c1cnc(-c2ccc(C3CCC3)cc2)c[nH]1.
What is the InChIKey of 5-(4-cyclobutylphenyl)-1H-pyrazine-2-thione?
The InChIKey is RNHUGMRCOFLBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c17-14-9-15-13(8-16-14)12-6-4-11(5-7-12)10-2-1-3-10/h4-10H,1-3H2,(H,16,17).
What are the key properties of 5-(4-cyclobutylphenyl)-1H-pyrazine-2-thione?
5-(4-cyclobutylphenyl)-1H-pyrazine-2-thione has a molecular weight of 242.35 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclobutylphenyl)-1H-pyrazine-2-thione is sourced from PubChem (CID 112754923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).