6-ethenyl-1H-pyridine-2-thione

C7H7NS — CID 123243115

IUPAC6-ethenyl-1H-pyridine-2-thione
SMILESC=Cc1cccc(=S)[nH]1
InChIInChI=1S/C7H7NS/c1-2-6-4-3-5-7(9)8-6/h2-5H,1H2,(H,8,9)
InChIKeyPYJAWVMIPAOVLB-UHFFFAOYSA-N
MW137.21 g/mol
LogP2.39
Rot. Bonds1

About 6-ethenyl-1H-pyridine-2-thione

6-ethenyl-1H-pyridine-2-thione (PubChem CID 123243115) has the molecular formula C7H7NS and a molecular weight of 137.21 g/mol. Its IUPAC name is 6-ethenyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name6-ethenyl-1H-pyridine-2-thione
PubChem CID123243115
Molecular FormulaC7H7NS
Molecular Weight137.21 g/mol
Exact Mass137.03
IUPAC Name6-ethenyl-1H-pyridine-2-thione
SMILESC=Cc1cccc(=S)[nH]1
InChIInChI=1S/C7H7NS/c1-2-6-4-3-5-7(9)8-6/h2-5H,1H2,(H,8,9)
InChIKeyPYJAWVMIPAOVLB-UHFFFAOYSA-N
XLogP2.39
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 6-ethenyl-1H-pyridine-2-thione?
The IUPAC name of 6-ethenyl-1H-pyridine-2-thione (CID 123243115) is 6-ethenyl-1H-pyridine-2-thione.
What is the SMILES notation for 6-ethenyl-1H-pyridine-2-thione?
The canonical SMILES for 6-ethenyl-1H-pyridine-2-thione is C=Cc1cccc(=S)[nH]1.
What is the InChIKey of 6-ethenyl-1H-pyridine-2-thione?
The InChIKey is PYJAWVMIPAOVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS/c1-2-6-4-3-5-7(9)8-6/h2-5H,1H2,(H,8,9).
What are the key properties of 6-ethenyl-1H-pyridine-2-thione?
6-ethenyl-1H-pyridine-2-thione has a molecular weight of 137.21 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-1H-pyridine-2-thione is sourced from PubChem (CID 123243115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).