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

C8H9NS — CID 67377735

IUPAC2-prop-2-enyl-1H-pyridine-4-thione
SMILESC=CCc1cc(=S)cc[nH]1
InChIInChI=1S/C8H9NS/c1-2-3-7-6-8(10)4-5-9-7/h2,4-6H,1,3H2,(H,9,10)
InChIKeyOJNQTUASFLMPKV-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.47
Rot. Bonds2

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

2-prop-2-enyl-1H-pyridine-4-thione (PubChem CID 67377735) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 2-prop-2-enyl-1H-pyridine-4-thione.

Molecular Properties

Compound Name2-prop-2-enyl-1H-pyridine-4-thione
PubChem CID67377735
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name2-prop-2-enyl-1H-pyridine-4-thione
SMILESC=CCc1cc(=S)cc[nH]1
InChIInChI=1S/C8H9NS/c1-2-3-7-6-8(10)4-5-9-7/h2,4-6H,1,3H2,(H,9,10)
InChIKeyOJNQTUASFLMPKV-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 2-prop-2-enyl-1H-pyridine-4-thione?
The IUPAC name of 2-prop-2-enyl-1H-pyridine-4-thione (CID 67377735) is 2-prop-2-enyl-1H-pyridine-4-thione.
What is the SMILES notation for 2-prop-2-enyl-1H-pyridine-4-thione?
The canonical SMILES for 2-prop-2-enyl-1H-pyridine-4-thione is C=CCc1cc(=S)cc[nH]1.
What is the InChIKey of 2-prop-2-enyl-1H-pyridine-4-thione?
The InChIKey is OJNQTUASFLMPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-2-3-7-6-8(10)4-5-9-7/h2,4-6H,1,3H2,(H,9,10).
What are the key properties of 2-prop-2-enyl-1H-pyridine-4-thione?
2-prop-2-enyl-1H-pyridine-4-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 2-prop-2-enyl-1H-pyridine-4-thione is sourced from PubChem (CID 67377735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).