2-sulfinyl-1H-pyridine

C5H5NOS — CID 19835236

IUPAC2-sulfinyl-1H-pyridine
SMILESO=S=c1cccc[nH]1
InChIInChI=1S/C5H5NOS/c7-8-5-3-1-2-4-6-5/h1-4,6H
InChIKeyDBPSVFRRAOJDIY-UHFFFAOYSA-N
MW127.17 g/mol
LogP0.76
Rot. Bonds

About 2-sulfinyl-1H-pyridine

2-sulfinyl-1H-pyridine (PubChem CID 19835236) has the molecular formula C5H5NOS and a molecular weight of 127.17 g/mol. Its IUPAC name is 2-sulfinyl-1H-pyridine.

Molecular Properties

Compound Name2-sulfinyl-1H-pyridine
PubChem CID19835236
Molecular FormulaC5H5NOS
Molecular Weight127.17 g/mol
Exact Mass127.01
IUPAC Name2-sulfinyl-1H-pyridine
SMILESO=S=c1cccc[nH]1
InChIInChI=1S/C5H5NOS/c7-8-5-3-1-2-4-6-5/h1-4,6H
InChIKeyDBPSVFRRAOJDIY-UHFFFAOYSA-N
XLogP0.76
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 50.76
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 2-sulfinyl-1H-pyridine?
The IUPAC name of 2-sulfinyl-1H-pyridine (CID 19835236) is 2-sulfinyl-1H-pyridine.
What is the SMILES notation for 2-sulfinyl-1H-pyridine?
The canonical SMILES for 2-sulfinyl-1H-pyridine is O=S=c1cccc[nH]1.
What is the InChIKey of 2-sulfinyl-1H-pyridine?
The InChIKey is DBPSVFRRAOJDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NOS/c7-8-5-3-1-2-4-6-5/h1-4,6H.
What are the key properties of 2-sulfinyl-1H-pyridine?
2-sulfinyl-1H-pyridine has a molecular weight of 127.17 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfinyl-1H-pyridine is sourced from PubChem (CID 19835236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).