2-(4-chlorophenyl)sulfanylpyridine

C11H8ClNS — CID 820416

IUPAC2-(4-chlorophenyl)sulfanylpyridine
SMILESClc1ccc(Sc2ccccn2)cc1
InChIInChI=1S/C11H8ClNS/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h1-8H
InChIKeyXMNYBSNPXLTZNF-UHFFFAOYSA-N
MW221.71 g/mol
LogP3.89
Rot. Bonds2

About 2-(4-chlorophenyl)sulfanylpyridine

2-(4-chlorophenyl)sulfanylpyridine (PubChem CID 820416) has the molecular formula C11H8ClNS and a molecular weight of 221.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanylpyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanylpyridine
PubChem CID820416
Molecular FormulaC11H8ClNS
Molecular Weight221.71 g/mol
Exact Mass221.01
IUPAC Name2-(4-chlorophenyl)sulfanylpyridine
SMILESClc1ccc(Sc2ccccn2)cc1
InChIInChI=1S/C11H8ClNS/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h1-8H
InChIKeyXMNYBSNPXLTZNF-UHFFFAOYSA-N
XLogP3.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.71
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanylpyridine?
The IUPAC name of 2-(4-chlorophenyl)sulfanylpyridine (CID 820416) is 2-(4-chlorophenyl)sulfanylpyridine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanylpyridine?
The canonical SMILES for 2-(4-chlorophenyl)sulfanylpyridine is Clc1ccc(Sc2ccccn2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanylpyridine?
The InChIKey is XMNYBSNPXLTZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNS/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h1-8H.
What are the key properties of 2-(4-chlorophenyl)sulfanylpyridine?
2-(4-chlorophenyl)sulfanylpyridine has a molecular weight of 221.71 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanylpyridine is sourced from PubChem (CID 820416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).