1-prop-2-enylpyridine-2-thione

C8H9NS — CID 12678666

IUPAC1-prop-2-enylpyridine-2-thione
SMILESC=CCn1ccccc1=S
InChIInChI=1S/C8H9NS/c1-2-6-9-7-4-3-5-8(9)10/h2-5,7H,1,6H2
InChIKeyXUNOEWDLYLYJLG-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.40
Rot. Bonds2

About 1-prop-2-enylpyridine-2-thione

1-prop-2-enylpyridine-2-thione (PubChem CID 12678666) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 1-prop-2-enylpyridine-2-thione.

Molecular Properties

Compound Name1-prop-2-enylpyridine-2-thione
PubChem CID12678666
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name1-prop-2-enylpyridine-2-thione
SMILESC=CCn1ccccc1=S
InChIInChI=1S/C8H9NS/c1-2-6-9-7-4-3-5-8(9)10/h2-5,7H,1,6H2
InChIKeyXUNOEWDLYLYJLG-UHFFFAOYSA-N
XLogP2.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-prop-2-enylpyridine-2-thione?
The IUPAC name of 1-prop-2-enylpyridine-2-thione (CID 12678666) is 1-prop-2-enylpyridine-2-thione.
What is the SMILES notation for 1-prop-2-enylpyridine-2-thione?
The canonical SMILES for 1-prop-2-enylpyridine-2-thione is C=CCn1ccccc1=S.
What is the InChIKey of 1-prop-2-enylpyridine-2-thione?
The InChIKey is XUNOEWDLYLYJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-2-6-9-7-4-3-5-8(9)10/h2-5,7H,1,6H2.
What are the key properties of 1-prop-2-enylpyridine-2-thione?
1-prop-2-enylpyridine-2-thione has a molecular weight of 151.23 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylpyridine-2-thione is sourced from PubChem (CID 12678666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).