1-cyclohexyloxypyridine-2-thione

C11H15NOS — CID 14089613

IUPAC1-cyclohexyloxypyridine-2-thione
SMILESS=c1ccccn1OC1CCCCC1
InChIInChI=1S/C11H15NOS/c14-11-8-4-5-9-12(11)13-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
InChIKeySCVDKTRFVQIEGW-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.98
Rot. Bonds2

About 1-cyclohexyloxypyridine-2-thione

1-cyclohexyloxypyridine-2-thione (PubChem CID 14089613) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-cyclohexyloxypyridine-2-thione.

Molecular Properties

Compound Name1-cyclohexyloxypyridine-2-thione
PubChem CID14089613
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1-cyclohexyloxypyridine-2-thione
SMILESS=c1ccccn1OC1CCCCC1
InChIInChI=1S/C11H15NOS/c14-11-8-4-5-9-12(11)13-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
InChIKeySCVDKTRFVQIEGW-UHFFFAOYSA-N
XLogP2.98
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-cyclohexyloxypyridine-2-thione?
The IUPAC name of 1-cyclohexyloxypyridine-2-thione (CID 14089613) is 1-cyclohexyloxypyridine-2-thione.
What is the SMILES notation for 1-cyclohexyloxypyridine-2-thione?
The canonical SMILES for 1-cyclohexyloxypyridine-2-thione is S=c1ccccn1OC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxypyridine-2-thione?
The InChIKey is SCVDKTRFVQIEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c14-11-8-4-5-9-12(11)13-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2.
What are the key properties of 1-cyclohexyloxypyridine-2-thione?
1-cyclohexyloxypyridine-2-thione has a molecular weight of 209.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxypyridine-2-thione is sourced from PubChem (CID 14089613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).