1-phenylmethoxypyridine-2-thione

C12H11NOS — CID 14400667

IUPAC1-phenylmethoxypyridine-2-thione
SMILESS=c1ccccn1OCc1ccccc1
InChIInChI=1S/C12H11NOS/c15-12-8-4-5-9-13(12)14-10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyQVOIIFMHVMHTHZ-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.85
Rot. Bonds3

About 1-phenylmethoxypyridine-2-thione

1-phenylmethoxypyridine-2-thione (PubChem CID 14400667) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-phenylmethoxypyridine-2-thione.

Molecular Properties

Compound Name1-phenylmethoxypyridine-2-thione
PubChem CID14400667
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name1-phenylmethoxypyridine-2-thione
SMILESS=c1ccccn1OCc1ccccc1
InChIInChI=1S/C12H11NOS/c15-12-8-4-5-9-13(12)14-10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyQVOIIFMHVMHTHZ-UHFFFAOYSA-N
XLogP2.85
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-phenylmethoxypyridine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxypyridine-2-thione?
The IUPAC name of 1-phenylmethoxypyridine-2-thione (CID 14400667) is 1-phenylmethoxypyridine-2-thione.
What is the SMILES notation for 1-phenylmethoxypyridine-2-thione?
The canonical SMILES for 1-phenylmethoxypyridine-2-thione is S=c1ccccn1OCc1ccccc1.
What is the InChIKey of 1-phenylmethoxypyridine-2-thione?
The InChIKey is QVOIIFMHVMHTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c15-12-8-4-5-9-13(12)14-10-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 1-phenylmethoxypyridine-2-thione?
1-phenylmethoxypyridine-2-thione has a molecular weight of 217.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxypyridine-2-thione is sourced from PubChem (CID 14400667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).