1-(dimethylamino)pyridine-4-thione

C7H10N2S — CID 71341173

IUPAC1-(dimethylamino)pyridine-4-thione
SMILESCN(C)n1ccc(=S)cc1
InChIInChI=1S/C7H10N2S/c1-8(2)9-5-3-7(10)4-6-9/h3-6H,1-2H3
InChIKeyDYEUQWKNXKDDIZ-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.42
Rot. Bonds1

About 1-(dimethylamino)pyridine-4-thione

1-(dimethylamino)pyridine-4-thione (PubChem CID 71341173) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 1-(dimethylamino)pyridine-4-thione.

Molecular Properties

Compound Name1-(dimethylamino)pyridine-4-thione
PubChem CID71341173
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name1-(dimethylamino)pyridine-4-thione
SMILESCN(C)n1ccc(=S)cc1
InChIInChI=1S/C7H10N2S/c1-8(2)9-5-3-7(10)4-6-9/h3-6H,1-2H3
InChIKeyDYEUQWKNXKDDIZ-UHFFFAOYSA-N
XLogP1.42
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(dimethylamino)pyridine-4-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-(dimethylamino)pyridine-4-thione?
The IUPAC name of 1-(dimethylamino)pyridine-4-thione (CID 71341173) is 1-(dimethylamino)pyridine-4-thione.
What is the SMILES notation for 1-(dimethylamino)pyridine-4-thione?
The canonical SMILES for 1-(dimethylamino)pyridine-4-thione is CN(C)n1ccc(=S)cc1.
What is the InChIKey of 1-(dimethylamino)pyridine-4-thione?
The InChIKey is DYEUQWKNXKDDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-8(2)9-5-3-7(10)4-6-9/h3-6H,1-2H3.
What are the key properties of 1-(dimethylamino)pyridine-4-thione?
1-(dimethylamino)pyridine-4-thione has a molecular weight of 154.24 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)pyridine-4-thione is sourced from PubChem (CID 71341173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).