1-phenyl-5-pyridin-2-ylpentane-1-thione

C16H17NS — CID 173093355

IUPAC1-phenyl-5-pyridin-2-ylpentane-1-thione
SMILESS=C(CCCCc1ccccn1)c1ccccc1
InChIInChI=1S/C16H17NS/c18-16(14-8-2-1-3-9-14)12-5-4-10-15-11-6-7-13-17-15/h1-3,6-9,11,13H,4-5,10,12H2
InChIKeyFBCJVIVTBHWAKQ-UHFFFAOYSA-N
MW255.39 g/mol
LogP4.21
Rot. Bonds6

About 1-phenyl-5-pyridin-2-ylpentane-1-thione

1-phenyl-5-pyridin-2-ylpentane-1-thione (PubChem CID 173093355) has the molecular formula C16H17NS and a molecular weight of 255.39 g/mol. Its IUPAC name is 1-phenyl-5-pyridin-2-ylpentane-1-thione.

Molecular Properties

Compound Name1-phenyl-5-pyridin-2-ylpentane-1-thione
PubChem CID173093355
Molecular FormulaC16H17NS
Molecular Weight255.39 g/mol
Exact Mass255.11
IUPAC Name1-phenyl-5-pyridin-2-ylpentane-1-thione
SMILESS=C(CCCCc1ccccn1)c1ccccc1
InChIInChI=1S/C16H17NS/c18-16(14-8-2-1-3-9-14)12-5-4-10-15-11-6-7-13-17-15/h1-3,6-9,11,13H,4-5,10,12H2
InChIKeyFBCJVIVTBHWAKQ-UHFFFAOYSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
9-pyridin-2-ylnonan-1-ol
CID 12680899
6-pyridin-2-ylhexanoate
CID 7109691
2-(7-phenylheptyl)pyridine
CID 54510986
4-pyridin-2-ylbutylphosphane
CID 175102115
3-pyridin-2-ylpropyl benzoate
CID 13206388
2-undecylpyridine
CID 66882765
2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine
CID 57198665
chromium;2-pentylpyridine;hydrochloride
CID 175220071
2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine
CID 158040240
2-hexadecylpyridine;hydrate
CID 141211108
2-tetradecylpyridine;hydrochloride
CID 45489746

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-pyridin-2-ylpentane-1-thione?
The IUPAC name of 1-phenyl-5-pyridin-2-ylpentane-1-thione (CID 173093355) is 1-phenyl-5-pyridin-2-ylpentane-1-thione.
What is the SMILES notation for 1-phenyl-5-pyridin-2-ylpentane-1-thione?
The canonical SMILES for 1-phenyl-5-pyridin-2-ylpentane-1-thione is S=C(CCCCc1ccccn1)c1ccccc1.
What is the InChIKey of 1-phenyl-5-pyridin-2-ylpentane-1-thione?
The InChIKey is FBCJVIVTBHWAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NS/c18-16(14-8-2-1-3-9-14)12-5-4-10-15-11-6-7-13-17-15/h1-3,6-9,11,13H,4-5,10,12H2.
What are the key properties of 1-phenyl-5-pyridin-2-ylpentane-1-thione?
1-phenyl-5-pyridin-2-ylpentane-1-thione has a molecular weight of 255.39 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-pyridin-2-ylpentane-1-thione is sourced from PubChem (CID 173093355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).