3-(3-cyclobutylphenyl)-1H-pyrazine-2-thione

C14H14N2S — CID 106522498

IUPAC3-(3-cyclobutylphenyl)-1H-pyrazine-2-thione
SMILESS=c1[nH]ccnc1-c1cccc(C2CCC2)c1
InChIInChI=1S/C14H14N2S/c17-14-13(15-7-8-16-14)12-6-2-5-11(9-12)10-3-1-4-10/h2,5-10H,1,3-4H2,(H,16,17)
InChIKeyOKWBOMISXJRSMM-UHFFFAOYSA-N
MW242.35 g/mol
LogP4.07
Rot. Bonds2

About 3-(3-cyclobutylphenyl)-1H-pyrazine-2-thione

3-(3-cyclobutylphenyl)-1H-pyrazine-2-thione (PubChem CID 106522498) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 3-(3-cyclobutylphenyl)-1H-pyrazine-2-thione.

Molecular Properties

Compound Name3-(3-cyclobutylphenyl)-1H-pyrazine-2-thione
PubChem CID106522498
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name3-(3-cyclobutylphenyl)-1H-pyrazine-2-thione
SMILESS=c1[nH]ccnc1-c1cccc(C2CCC2)c1
InChIInChI=1S/C14H14N2S/c17-14-13(15-7-8-16-14)12-6-2-5-11(9-12)10-3-1-4-10/h2,5-10H,1,3-4H2,(H,16,17)
InChIKeyOKWBOMISXJRSMM-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

3-(3-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
CID 106522502
3-(3-cyclobutylphenyl)pyridin-2-amine
CID 114605099
4-(3-cyclohexylphenyl)-2-phenylpyridine
CID 129074802
6-(3-cyclobutylphenyl)-N-ethyl-5-methylpyrimidin-4-amine
CID 114607000
4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136770360
6-(3-cyclobutylphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106522451
4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136770354
1,3-bis(3-cyclopentylphenyl)-2-methylbenzene
CID 162497484
2-(3-piperidin-4-ylphenyl)pyrimidine
CID 91370651
3-(3-cyclobutylphenyl)-1-methylpyrazol-5-amine
CID 117327429
4-bromo-6-(3-cyclobutylphenyl)-2-cyclopropylpyrimidine
CID 114606618
2-[(1R)-1-(3-cyclopropylphenyl)ethyl]-1H-imidazole
CID 124562179

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutylphenyl)-1H-pyrazine-2-thione?
The IUPAC name of 3-(3-cyclobutylphenyl)-1H-pyrazine-2-thione (CID 106522498) is 3-(3-cyclobutylphenyl)-1H-pyrazine-2-thione.
What is the SMILES notation for 3-(3-cyclobutylphenyl)-1H-pyrazine-2-thione?
The canonical SMILES for 3-(3-cyclobutylphenyl)-1H-pyrazine-2-thione is S=c1[nH]ccnc1-c1cccc(C2CCC2)c1.
What is the InChIKey of 3-(3-cyclobutylphenyl)-1H-pyrazine-2-thione?
The InChIKey is OKWBOMISXJRSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c17-14-13(15-7-8-16-14)12-6-2-5-11(9-12)10-3-1-4-10/h2,5-10H,1,3-4H2,(H,16,17).
What are the key properties of 3-(3-cyclobutylphenyl)-1H-pyrazine-2-thione?
3-(3-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 3-(3-cyclobutylphenyl)-1H-pyrazine-2-thione is sourced from PubChem (CID 106522498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).