1-phenylpyridine-4-thione

C11H9NS — CID 14761332

IUPAC1-phenylpyridine-4-thione
SMILESS=c1ccn(-c2ccccc2)cc1
InChIInChI=1S/C11H9NS/c13-11-6-8-12(9-7-11)10-4-2-1-3-5-10/h1-9H
InChIKeyXCPXCDAWEGOORH-UHFFFAOYSA-N
MW187.27 g/mol
LogP3.21
Rot. Bonds1

About 1-phenylpyridine-4-thione

1-phenylpyridine-4-thione (PubChem CID 14761332) has the molecular formula C11H9NS and a molecular weight of 187.27 g/mol. Its IUPAC name is 1-phenylpyridine-4-thione.

Molecular Properties

Compound Name1-phenylpyridine-4-thione
PubChem CID14761332
Molecular FormulaC11H9NS
Molecular Weight187.27 g/mol
Exact Mass187.05
IUPAC Name1-phenylpyridine-4-thione
SMILESS=c1ccn(-c2ccccc2)cc1
InChIInChI=1S/C11H9NS/c13-11-6-8-12(9-7-11)10-4-2-1-3-5-10/h1-9H
InChIKeyXCPXCDAWEGOORH-UHFFFAOYSA-N
XLogP3.21
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenylpyridine-4-thione?
The IUPAC name of 1-phenylpyridine-4-thione (CID 14761332) is 1-phenylpyridine-4-thione.
What is the SMILES notation for 1-phenylpyridine-4-thione?
The canonical SMILES for 1-phenylpyridine-4-thione is S=c1ccn(-c2ccccc2)cc1.
What is the InChIKey of 1-phenylpyridine-4-thione?
The InChIKey is XCPXCDAWEGOORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NS/c13-11-6-8-12(9-7-11)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 1-phenylpyridine-4-thione?
1-phenylpyridine-4-thione has a molecular weight of 187.27 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyridine-4-thione is sourced from PubChem (CID 14761332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).