1-ethoxypyridine-2-thione

C7H9NOS — CID 15326041

IUPAC1-ethoxypyridine-2-thione
SMILESCCOn1ccccc1=S
InChIInChI=1S/C7H9NOS/c1-2-9-8-6-4-3-5-7(8)10/h3-6H,2H2,1H3
InChIKeyUVAXQYFJQMHKJP-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.67
Rot. Bonds2

About 1-ethoxypyridine-2-thione

1-ethoxypyridine-2-thione (PubChem CID 15326041) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 1-ethoxypyridine-2-thione.

Molecular Properties

Compound Name1-ethoxypyridine-2-thione
PubChem CID15326041
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name1-ethoxypyridine-2-thione
SMILESCCOn1ccccc1=S
InChIInChI=1S/C7H9NOS/c1-2-9-8-6-4-3-5-7(8)10/h3-6H,2H2,1H3
InChIKeyUVAXQYFJQMHKJP-UHFFFAOYSA-N
XLogP1.67
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethoxypyridine-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-ethoxypyridine-2-thione?
The IUPAC name of 1-ethoxypyridine-2-thione (CID 15326041) is 1-ethoxypyridine-2-thione.
What is the SMILES notation for 1-ethoxypyridine-2-thione?
The canonical SMILES for 1-ethoxypyridine-2-thione is CCOn1ccccc1=S.
What is the InChIKey of 1-ethoxypyridine-2-thione?
The InChIKey is UVAXQYFJQMHKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-2-9-8-6-4-3-5-7(8)10/h3-6H,2H2,1H3.
What are the key properties of 1-ethoxypyridine-2-thione?
1-ethoxypyridine-2-thione has a molecular weight of 155.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypyridine-2-thione is sourced from PubChem (CID 15326041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).