pyridin-2-ylsulfanium

C5H6NS+ — CID 22743733

IUPACpyridin-2-ylsulfanium
SMILES[SH2+]c1ccccn1
InChIInChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)/p+1
InChIKeyWHMDPDGBKYUEMW-UHFFFAOYSA-O
MW112.18 g/mol
LogP0.45
Rot. Bonds

About pyridin-2-ylsulfanium

pyridin-2-ylsulfanium (PubChem CID 22743733) has the molecular formula C5H6NS+ and a molecular weight of 112.18 g/mol. Its IUPAC name is pyridin-2-ylsulfanium.

Molecular Properties

Compound Namepyridin-2-ylsulfanium
PubChem CID22743733
Molecular FormulaC5H6NS+
Molecular Weight112.18 g/mol
Exact Mass112.02
IUPAC Namepyridin-2-ylsulfanium
SMILES[SH2+]c1ccccn1
InChIInChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)/p+1
InChIKeyWHMDPDGBKYUEMW-UHFFFAOYSA-O
XLogP0.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylsulfanium?
The IUPAC name of pyridin-2-ylsulfanium (CID 22743733) is pyridin-2-ylsulfanium.
What is the SMILES notation for pyridin-2-ylsulfanium?
The canonical SMILES for pyridin-2-ylsulfanium is [SH2+]c1ccccn1.
What is the InChIKey of pyridin-2-ylsulfanium?
The InChIKey is WHMDPDGBKYUEMW-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)/p+1.
What are the key properties of pyridin-2-ylsulfanium?
pyridin-2-ylsulfanium has a molecular weight of 112.18 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylsulfanium is sourced from PubChem (CID 22743733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).