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

C14H15NS — CID 106522006

IUPAC2-(3-propylphenyl)-1H-pyridine-4-thione
SMILESCCCc1cccc(-c2cc(=S)cc[nH]2)c1
InChIInChI=1S/C14H15NS/c1-2-4-11-5-3-6-12(9-11)14-10-13(16)7-8-15-14/h3,5-10H,2,4H2,1H3,(H,15,16)
InChIKeyDQWHSDHHFVYBRS-UHFFFAOYSA-N
MW229.35 g/mol
LogP4.36
Rot. Bonds3

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

2-(3-propylphenyl)-1H-pyridine-4-thione (PubChem CID 106522006) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-(3-propylphenyl)-1H-pyridine-4-thione.

Molecular Properties

Compound Name2-(3-propylphenyl)-1H-pyridine-4-thione
PubChem CID106522006
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name2-(3-propylphenyl)-1H-pyridine-4-thione
SMILESCCCc1cccc(-c2cc(=S)cc[nH]2)c1
InChIInChI=1S/C14H15NS/c1-2-4-11-5-3-6-12(9-11)14-10-13(16)7-8-15-14/h3,5-10H,2,4H2,1H3,(H,15,16)
InChIKeyDQWHSDHHFVYBRS-UHFFFAOYSA-N
XLogP4.36
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-propylbenzene
CID 4110465
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934
1-ethenyl-3-(3-propylphenyl)benzene
CID 90994074
3-(3-propylphenyl)pyridine
CID 69055272
6-(3-ethylphenyl)-1H-pyrimidine-4-thione
CID 106519409
4-phenyl-2-(3-propylphenyl)pyridine
CID 144632078
2-(3-methyl-5-propylphenyl)-1H-pyrrole
CID 146359377
4-(3-ethylphenyl)-1,3-dihydroimidazole-2-thione
CID 25124599
[3-(4-propylphenyl)phenyl]methanol
CID 1393732
1-methyl-2-(3-propylphenyl)benzene
CID 143365994
1-[2-chloro-4-(3-propylphenyl)phenyl]ethanamine
CID 116545336
N-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine
CID 116545296

Frequently Asked Questions

What is the IUPAC name of 2-(3-propylphenyl)-1H-pyridine-4-thione?
The IUPAC name of 2-(3-propylphenyl)-1H-pyridine-4-thione (CID 106522006) is 2-(3-propylphenyl)-1H-pyridine-4-thione.
What is the SMILES notation for 2-(3-propylphenyl)-1H-pyridine-4-thione?
The canonical SMILES for 2-(3-propylphenyl)-1H-pyridine-4-thione is CCCc1cccc(-c2cc(=S)cc[nH]2)c1.
What is the InChIKey of 2-(3-propylphenyl)-1H-pyridine-4-thione?
The InChIKey is DQWHSDHHFVYBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-2-4-11-5-3-6-12(9-11)14-10-13(16)7-8-15-14/h3,5-10H,2,4H2,1H3,(H,15,16).
What are the key properties of 2-(3-propylphenyl)-1H-pyridine-4-thione?
2-(3-propylphenyl)-1H-pyridine-4-thione has a molecular weight of 229.35 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propylphenyl)-1H-pyridine-4-thione is sourced from PubChem (CID 106522006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).