4-prop-2-enyl-1H-pyridine-2-thione

C8H9NS — CID 129048389

IUPAC4-prop-2-enyl-1H-pyridine-2-thione
SMILESC=CCc1cc[nH]c(=S)c1
InChIInChI=1S/C8H9NS/c1-2-3-7-4-5-9-8(10)6-7/h2,4-6H,1,3H2,(H,9,10)
InChIKeyZSHUHRPDWNWLRI-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.47
Rot. Bonds2

About 4-prop-2-enyl-1H-pyridine-2-thione

4-prop-2-enyl-1H-pyridine-2-thione (PubChem CID 129048389) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 4-prop-2-enyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name4-prop-2-enyl-1H-pyridine-2-thione
PubChem CID129048389
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name4-prop-2-enyl-1H-pyridine-2-thione
SMILESC=CCc1cc[nH]c(=S)c1
InChIInChI=1S/C8H9NS/c1-2-3-7-4-5-9-8(10)6-7/h2,4-6H,1,3H2,(H,9,10)
InChIKeyZSHUHRPDWNWLRI-UHFFFAOYSA-N
XLogP2.47
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-prop-2-enyl-1H-pyridine-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 4-prop-2-enyl-1H-pyridine-2-thione?
The IUPAC name of 4-prop-2-enyl-1H-pyridine-2-thione (CID 129048389) is 4-prop-2-enyl-1H-pyridine-2-thione.
What is the SMILES notation for 4-prop-2-enyl-1H-pyridine-2-thione?
The canonical SMILES for 4-prop-2-enyl-1H-pyridine-2-thione is C=CCc1cc[nH]c(=S)c1.
What is the InChIKey of 4-prop-2-enyl-1H-pyridine-2-thione?
The InChIKey is ZSHUHRPDWNWLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-2-3-7-4-5-9-8(10)6-7/h2,4-6H,1,3H2,(H,9,10).
What are the key properties of 4-prop-2-enyl-1H-pyridine-2-thione?
4-prop-2-enyl-1H-pyridine-2-thione has a molecular weight of 151.23 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-1H-pyridine-2-thione is sourced from PubChem (CID 129048389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).