1-cyclopentyloxypyridine-2-thione

C10H13NOS — CID 10976391

IUPAC1-cyclopentyloxypyridine-2-thione
SMILESS=c1ccccn1OC1CCCC1
InChIInChI=1S/C10H13NOS/c13-10-7-3-4-8-11(10)12-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2
InChIKeyINKCRCCNGWQHIU-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.59
Rot. Bonds2

About 1-cyclopentyloxypyridine-2-thione

1-cyclopentyloxypyridine-2-thione (PubChem CID 10976391) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-cyclopentyloxypyridine-2-thione.

Molecular Properties

Compound Name1-cyclopentyloxypyridine-2-thione
PubChem CID10976391
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name1-cyclopentyloxypyridine-2-thione
SMILESS=c1ccccn1OC1CCCC1
InChIInChI=1S/C10H13NOS/c13-10-7-3-4-8-11(10)12-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2
InChIKeyINKCRCCNGWQHIU-UHFFFAOYSA-N
XLogP2.59
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Propan-2-yloxypyridine-2-thione
CID 14400669
1-Pentoxypyridine-2-thione
CID 10888868
1-Cyclohexyloxypyridine-2-thione
CID 14089613
1-Butoxypyridine-2-thione
CID 14400666
1-Hex-5-en-2-yloxypyridine-2-thione
CID 10656023

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxypyridine-2-thione?
The IUPAC name of 1-cyclopentyloxypyridine-2-thione (CID 10976391) is 1-cyclopentyloxypyridine-2-thione.
What is the SMILES notation for 1-cyclopentyloxypyridine-2-thione?
The canonical SMILES for 1-cyclopentyloxypyridine-2-thione is S=c1ccccn1OC1CCCC1.
What is the InChIKey of 1-cyclopentyloxypyridine-2-thione?
The InChIKey is INKCRCCNGWQHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c13-10-7-3-4-8-11(10)12-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2.
What are the key properties of 1-cyclopentyloxypyridine-2-thione?
1-cyclopentyloxypyridine-2-thione has a molecular weight of 195.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxypyridine-2-thione is sourced from PubChem (CID 10976391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).