2-(4-fluorophenyl)benzo[h]chromene-4-thione

C19H11FOS — CID 155531248

IUPAC2-(4-fluorophenyl)benzo[h]chromene-4-thione
SMILESFc1ccc(-c2cc(=S)c3ccc4ccccc4c3o2)cc1
InChIInChI=1S/C19H11FOS/c20-14-8-5-13(6-9-14)17-11-18(22)16-10-7-12-3-1-2-4-15(12)19(16)21-17/h1-11H
InChIKeyZDRKZYAFBRJJIG-UHFFFAOYSA-N
MW306.36 g/mol
LogP6.12
Rot. Bonds1

About 2-(4-fluorophenyl)benzo[h]chromene-4-thione

2-(4-fluorophenyl)benzo[h]chromene-4-thione (PubChem CID 155531248) has the molecular formula C19H11FOS and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)benzo[h]chromene-4-thione.

Molecular Properties

Compound Name2-(4-fluorophenyl)benzo[h]chromene-4-thione
PubChem CID155531248
Molecular FormulaC19H11FOS
Molecular Weight306.36 g/mol
Exact Mass306.05
IUPAC Name2-(4-fluorophenyl)benzo[h]chromene-4-thione
SMILESFc1ccc(-c2cc(=S)c3ccc4ccccc4c3o2)cc1
InChIInChI=1S/C19H11FOS/c20-14-8-5-13(6-9-14)17-11-18(22)16-10-7-12-3-1-2-4-15(12)19(16)21-17/h1-11H
InChIKeyZDRKZYAFBRJJIG-UHFFFAOYSA-N
XLogP6.12
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.36
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)benzo[h]chromene-4-thione?
The IUPAC name of 2-(4-fluorophenyl)benzo[h]chromene-4-thione (CID 155531248) is 2-(4-fluorophenyl)benzo[h]chromene-4-thione.
What is the SMILES notation for 2-(4-fluorophenyl)benzo[h]chromene-4-thione?
The canonical SMILES for 2-(4-fluorophenyl)benzo[h]chromene-4-thione is Fc1ccc(-c2cc(=S)c3ccc4ccccc4c3o2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)benzo[h]chromene-4-thione?
The InChIKey is ZDRKZYAFBRJJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FOS/c20-14-8-5-13(6-9-14)17-11-18(22)16-10-7-12-3-1-2-4-15(12)19(16)21-17/h1-11H.
What are the key properties of 2-(4-fluorophenyl)benzo[h]chromene-4-thione?
2-(4-fluorophenyl)benzo[h]chromene-4-thione has a molecular weight of 306.36 g/mol, XLogP of 6.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)benzo[h]chromene-4-thione is sourced from PubChem (CID 155531248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).