3-(4-propylphenyl)-1H-pyrazine-2-thione

C13H14N2S — CID 106517221

IUPAC3-(4-propylphenyl)-1H-pyrazine-2-thione
SMILESCCCc1ccc(-c2ncc[nH]c2=S)cc1
InChIInChI=1S/C13H14N2S/c1-2-3-10-4-6-11(7-5-10)12-13(16)15-9-8-14-12/h4-9H,2-3H2,1H3,(H,15,16)
InChIKeyPODHQRVXZHPWRP-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.76
Rot. Bonds3

About 3-(4-propylphenyl)-1H-pyrazine-2-thione

3-(4-propylphenyl)-1H-pyrazine-2-thione (PubChem CID 106517221) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 3-(4-propylphenyl)-1H-pyrazine-2-thione.

Molecular Properties

Compound Name3-(4-propylphenyl)-1H-pyrazine-2-thione
PubChem CID106517221
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name3-(4-propylphenyl)-1H-pyrazine-2-thione
SMILESCCCc1ccc(-c2ncc[nH]c2=S)cc1
InChIInChI=1S/C13H14N2S/c1-2-3-10-4-6-11(7-5-10)12-13(16)15-9-8-14-12/h4-9H,2-3H2,1H3,(H,15,16)
InChIKeyPODHQRVXZHPWRP-UHFFFAOYSA-N
XLogP3.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.76
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-(4-propylphenyl)pyrazin-2-yl]methanamine
CID 82473726
3-(6-methoxy-3-pyridinyl)-1H-pyrazine-2-thione
CID 106516084
3-(2-methylquinolin-6-yl)-1H-pyrazine-2-thione
CID 106519588
3-(2-propoxyphenyl)-1H-pyrazine-2-thione
CID 106521586
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide
CID 56740870
5-methoxy-4-(4-propylphenyl)-1H-pyrimidin-6-one
CID 136955551
N-methyl-6-(4-propylphenyl)-1,2,4-triazin-5-amine
CID 116823140
N-[2-[4-(1H-imidazol-2-yl)phenyl]ethyl]pentan-1-amine
CID 18975538
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
ethane;2-(4-propylphenyl)pyridine
CID 158701503
2-propyl-1H-imidazole tetrafluoroborate
CID 174826414

Frequently Asked Questions

What is the IUPAC name of 3-(4-propylphenyl)-1H-pyrazine-2-thione?
The IUPAC name of 3-(4-propylphenyl)-1H-pyrazine-2-thione (CID 106517221) is 3-(4-propylphenyl)-1H-pyrazine-2-thione.
What is the SMILES notation for 3-(4-propylphenyl)-1H-pyrazine-2-thione?
The canonical SMILES for 3-(4-propylphenyl)-1H-pyrazine-2-thione is CCCc1ccc(-c2ncc[nH]c2=S)cc1.
What is the InChIKey of 3-(4-propylphenyl)-1H-pyrazine-2-thione?
The InChIKey is PODHQRVXZHPWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-2-3-10-4-6-11(7-5-10)12-13(16)15-9-8-14-12/h4-9H,2-3H2,1H3,(H,15,16).
What are the key properties of 3-(4-propylphenyl)-1H-pyrazine-2-thione?
3-(4-propylphenyl)-1H-pyrazine-2-thione has a molecular weight of 230.34 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylphenyl)-1H-pyrazine-2-thione is sourced from PubChem (CID 106517221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).