1-(1-naphthalen-2-ylpent-4-enoxy)pyridine-2-thione

C20H19NOS — CID 11404461

IUPAC1-(1-naphthalen-2-ylpent-4-enoxy)pyridine-2-thione
SMILESC=CCCC(On1ccccc1=S)c1ccc2ccccc2c1
InChIInChI=1S/C20H19NOS/c1-2-3-10-19(22-21-14-7-6-11-20(21)23)18-13-12-16-8-4-5-9-17(16)15-18/h2,4-9,11-15,19H,1,3,10H2
InChIKeyJNTRJSIYEGZOTP-UHFFFAOYSA-N
MW321.45 g/mol
LogP5.51
Rot. Bonds6

About 1-(1-naphthalen-2-ylpent-4-enoxy)pyridine-2-thione

1-(1-naphthalen-2-ylpent-4-enoxy)pyridine-2-thione (PubChem CID 11404461) has the molecular formula C20H19NOS and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-(1-naphthalen-2-ylpent-4-enoxy)pyridine-2-thione.

Molecular Properties

Compound Name1-(1-naphthalen-2-ylpent-4-enoxy)pyridine-2-thione
PubChem CID11404461
Molecular FormulaC20H19NOS
Molecular Weight321.45 g/mol
Exact Mass321.12
IUPAC Name1-(1-naphthalen-2-ylpent-4-enoxy)pyridine-2-thione
SMILESC=CCCC(On1ccccc1=S)c1ccc2ccccc2c1
InChIInChI=1S/C20H19NOS/c1-2-3-10-19(22-21-14-7-6-11-20(21)23)18-13-12-16-8-4-5-9-17(16)15-18/h2,4-9,11-15,19H,1,3,10H2
InChIKeyJNTRJSIYEGZOTP-UHFFFAOYSA-N
XLogP5.51
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.45
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-naphthalen-2-ylpent-4-enoxy)pyridine-2-thione?
The IUPAC name of 1-(1-naphthalen-2-ylpent-4-enoxy)pyridine-2-thione (CID 11404461) is 1-(1-naphthalen-2-ylpent-4-enoxy)pyridine-2-thione.
What is the SMILES notation for 1-(1-naphthalen-2-ylpent-4-enoxy)pyridine-2-thione?
The canonical SMILES for 1-(1-naphthalen-2-ylpent-4-enoxy)pyridine-2-thione is C=CCCC(On1ccccc1=S)c1ccc2ccccc2c1.
What is the InChIKey of 1-(1-naphthalen-2-ylpent-4-enoxy)pyridine-2-thione?
The InChIKey is JNTRJSIYEGZOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOS/c1-2-3-10-19(22-21-14-7-6-11-20(21)23)18-13-12-16-8-4-5-9-17(16)15-18/h2,4-9,11-15,19H,1,3,10H2.
What are the key properties of 1-(1-naphthalen-2-ylpent-4-enoxy)pyridine-2-thione?
1-(1-naphthalen-2-ylpent-4-enoxy)pyridine-2-thione has a molecular weight of 321.45 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-naphthalen-2-ylpent-4-enoxy)pyridine-2-thione is sourced from PubChem (CID 11404461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).