1H-pyridine-2-thione;zinc

C5H5NSZn — CID 67262858

IUPAC1H-pyridine-2-thione;zinc
SMILESS=c1cccc[nH]1.[Zn]
InChIInChI=1S/C5H5NS.Zn/c7-5-3-1-2-4-6-5;/h1-4H,(H,6,7);
InChIKeyKMTMJNIEJGRRFY-UHFFFAOYSA-N
MW176.56 g/mol
LogP1.74
Rot. Bonds

About 1H-pyridine-2-thione;zinc

1H-pyridine-2-thione;zinc (PubChem CID 67262858) has the molecular formula C5H5NSZn and a molecular weight of 176.56 g/mol. Its IUPAC name is 1H-pyridine-2-thione;zinc.

Molecular Properties

Compound Name1H-pyridine-2-thione;zinc
PubChem CID67262858
Molecular FormulaC5H5NSZn
Molecular Weight176.56 g/mol
Exact Mass174.94
IUPAC Name1H-pyridine-2-thione;zinc
SMILESS=c1cccc[nH]1.[Zn]
InChIInChI=1S/C5H5NS.Zn/c7-5-3-1-2-4-6-5;/h1-4H,(H,6,7);
InChIKeyKMTMJNIEJGRRFY-UHFFFAOYSA-N
XLogP1.74
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.56
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-pyridine-2-thione;zinc?
The IUPAC name of 1H-pyridine-2-thione;zinc (CID 67262858) is 1H-pyridine-2-thione;zinc.
What is the SMILES notation for 1H-pyridine-2-thione;zinc?
The canonical SMILES for 1H-pyridine-2-thione;zinc is S=c1cccc[nH]1.[Zn].
What is the InChIKey of 1H-pyridine-2-thione;zinc?
The InChIKey is KMTMJNIEJGRRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NS.Zn/c7-5-3-1-2-4-6-5;/h1-4H,(H,6,7);.
What are the key properties of 1H-pyridine-2-thione;zinc?
1H-pyridine-2-thione;zinc has a molecular weight of 176.56 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyridine-2-thione;zinc is sourced from PubChem (CID 67262858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).