2-(4-fluorophenyl)chromene-4-thione

C15H9FOS — CID 46231934

IUPAC2-(4-fluorophenyl)chromene-4-thione
SMILESFc1ccc(-c2cc(=S)c3ccccc3o2)cc1
InChIInChI=1S/C15H9FOS/c16-11-7-5-10(6-8-11)14-9-15(18)12-3-1-2-4-13(12)17-14/h1-9H
InChIKeyCUVYXRNRTAEVJN-UHFFFAOYSA-N
MW256.30 g/mol
LogP4.97
Rot. Bonds1

About 2-(4-fluorophenyl)chromene-4-thione

2-(4-fluorophenyl)chromene-4-thione (PubChem CID 46231934) has the molecular formula C15H9FOS and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)chromene-4-thione.

Molecular Properties

Compound Name2-(4-fluorophenyl)chromene-4-thione
PubChem CID46231934
Molecular FormulaC15H9FOS
Molecular Weight256.30 g/mol
Exact Mass256.04
IUPAC Name2-(4-fluorophenyl)chromene-4-thione
SMILESFc1ccc(-c2cc(=S)c3ccccc3o2)cc1
InChIInChI=1S/C15H9FOS/c16-11-7-5-10(6-8-11)14-9-15(18)12-3-1-2-4-13(12)17-14/h1-9H
InChIKeyCUVYXRNRTAEVJN-UHFFFAOYSA-N
XLogP4.97
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-fluorophenyl)chromene-4-thione?
The IUPAC name of 2-(4-fluorophenyl)chromene-4-thione (CID 46231934) is 2-(4-fluorophenyl)chromene-4-thione.
What is the SMILES notation for 2-(4-fluorophenyl)chromene-4-thione?
The canonical SMILES for 2-(4-fluorophenyl)chromene-4-thione is Fc1ccc(-c2cc(=S)c3ccccc3o2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)chromene-4-thione?
The InChIKey is CUVYXRNRTAEVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FOS/c16-11-7-5-10(6-8-11)14-9-15(18)12-3-1-2-4-13(12)17-14/h1-9H.
What are the key properties of 2-(4-fluorophenyl)chromene-4-thione?
2-(4-fluorophenyl)chromene-4-thione has a molecular weight of 256.30 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)chromene-4-thione is sourced from PubChem (CID 46231934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).