1-ethenylpyridine-2-thione

C7H7NS — CID 585975

IUPAC1-ethenylpyridine-2-thione
SMILESC=Cn1ccccc1=S
InChIInChI=1S/C7H7NS/c1-2-8-6-4-3-5-7(8)9/h2-6H,1H2
InChIKeyQQFUZMYDUYLUKD-UHFFFAOYSA-N
MW137.21 g/mol
LogP2.32
Rot. Bonds1

About 1-ethenylpyridine-2-thione

1-ethenylpyridine-2-thione (PubChem CID 585975) has the molecular formula C7H7NS and a molecular weight of 137.21 g/mol. Its IUPAC name is 1-ethenylpyridine-2-thione.

Molecular Properties

Compound Name1-ethenylpyridine-2-thione
PubChem CID585975
Molecular FormulaC7H7NS
Molecular Weight137.21 g/mol
Exact Mass137.03
IUPAC Name1-ethenylpyridine-2-thione
SMILESC=Cn1ccccc1=S
InChIInChI=1S/C7H7NS/c1-2-8-6-4-3-5-7(8)9/h2-6H,1H2
InChIKeyQQFUZMYDUYLUKD-UHFFFAOYSA-N
XLogP2.32
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylpyridine-2-thione?
The IUPAC name of 1-ethenylpyridine-2-thione (CID 585975) is 1-ethenylpyridine-2-thione.
What is the SMILES notation for 1-ethenylpyridine-2-thione?
The canonical SMILES for 1-ethenylpyridine-2-thione is C=Cn1ccccc1=S.
What is the InChIKey of 1-ethenylpyridine-2-thione?
The InChIKey is QQFUZMYDUYLUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS/c1-2-8-6-4-3-5-7(8)9/h2-6H,1H2.
What are the key properties of 1-ethenylpyridine-2-thione?
1-ethenylpyridine-2-thione has a molecular weight of 137.21 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyridine-2-thione is sourced from PubChem (CID 585975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).