sodium;hydride;1H-pyridine-4-thione

C5H6NNaS — CID 173253704

IUPACsodium;hydride;1H-pyridine-4-thione
SMILESS=c1cc[nH]cc1.[H-].[Na+]
InChIInChI=1S/C5H5NS.Na.H/c7-5-1-3-6-4-2-5;;/h1-4H,(H,6,7);;/q;+1;-1
InChIKeyDFXVXSNMTUYXGP-UHFFFAOYSA-N
MW135.17 g/mol
LogP-1.14
Rot. Bonds

About sodium;hydride;1H-pyridine-4-thione

sodium;hydride;1H-pyridine-4-thione (PubChem CID 173253704) has the molecular formula C5H6NNaS and a molecular weight of 135.17 g/mol. Its IUPAC name is sodium;hydride;1H-pyridine-4-thione.

Molecular Properties

Compound Namesodium;hydride;1H-pyridine-4-thione
PubChem CID173253704
Molecular FormulaC5H6NNaS
Molecular Weight135.17 g/mol
Exact Mass135.01
IUPAC Namesodium;hydride;1H-pyridine-4-thione
SMILESS=c1cc[nH]cc1.[H-].[Na+]
InChIInChI=1S/C5H5NS.Na.H/c7-5-1-3-6-4-2-5;;/h1-4H,(H,6,7);;/q;+1;-1
InChIKeyDFXVXSNMTUYXGP-UHFFFAOYSA-N
XLogP-1.14
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 5-1.14
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 sodium;hydride;1H-pyridine-4-thione?
The IUPAC name of sodium;hydride;1H-pyridine-4-thione (CID 173253704) is sodium;hydride;1H-pyridine-4-thione.
What is the SMILES notation for sodium;hydride;1H-pyridine-4-thione?
The canonical SMILES for sodium;hydride;1H-pyridine-4-thione is S=c1cc[nH]cc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;1H-pyridine-4-thione?
The InChIKey is DFXVXSNMTUYXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NS.Na.H/c7-5-1-3-6-4-2-5;;/h1-4H,(H,6,7);;/q;+1;-1.
What are the key properties of sodium;hydride;1H-pyridine-4-thione?
sodium;hydride;1H-pyridine-4-thione has a molecular weight of 135.17 g/mol, XLogP of -1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1H-pyridine-4-thione is sourced from PubChem (CID 173253704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).