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

C8H9NS — CID 67377238

IUPAC3-prop-2-enyl-1H-pyridine-2-thione
SMILESC=CCc1ccc[nH]c1=S
InChIInChI=1S/C8H9NS/c1-2-4-7-5-3-6-9-8(7)10/h2-3,5-6H,1,4H2,(H,9,10)
InChIKeyKUWMDOAIXXCYEZ-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.47
Rot. Bonds2

About 3-prop-2-enyl-1H-pyridine-2-thione

3-prop-2-enyl-1H-pyridine-2-thione (PubChem CID 67377238) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 3-prop-2-enyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-prop-2-enyl-1H-pyridine-2-thione
PubChem CID67377238
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name3-prop-2-enyl-1H-pyridine-2-thione
SMILESC=CCc1ccc[nH]c1=S
InChIInChI=1S/C8H9NS/c1-2-4-7-5-3-6-9-8(7)10/h2-3,5-6H,1,4H2,(H,9,10)
InChIKeyKUWMDOAIXXCYEZ-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-1H-pyridine-2-thione?
The IUPAC name of 3-prop-2-enyl-1H-pyridine-2-thione (CID 67377238) is 3-prop-2-enyl-1H-pyridine-2-thione.
What is the SMILES notation for 3-prop-2-enyl-1H-pyridine-2-thione?
The canonical SMILES for 3-prop-2-enyl-1H-pyridine-2-thione is C=CCc1ccc[nH]c1=S.
What is the InChIKey of 3-prop-2-enyl-1H-pyridine-2-thione?
The InChIKey is KUWMDOAIXXCYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-2-4-7-5-3-6-9-8(7)10/h2-3,5-6H,1,4H2,(H,9,10).
What are the key properties of 3-prop-2-enyl-1H-pyridine-2-thione?
3-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 3-prop-2-enyl-1H-pyridine-2-thione is sourced from PubChem (CID 67377238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).