7-fluoro-2-(4-methylphenyl)chromene-4-thione

C16H11FOS — CID 46231936

IUPAC7-fluoro-2-(4-methylphenyl)chromene-4-thione
SMILESCc1ccc(-c2cc(=S)c3ccc(F)cc3o2)cc1
InChIInChI=1S/C16H11FOS/c1-10-2-4-11(5-3-10)14-9-16(19)13-7-6-12(17)8-15(13)18-14/h2-9H,1H3
InChIKeySJJJFWHFSTWMGP-UHFFFAOYSA-N
MW270.33 g/mol
LogP5.28
Rot. Bonds1

About 7-fluoro-2-(4-methylphenyl)chromene-4-thione

7-fluoro-2-(4-methylphenyl)chromene-4-thione (PubChem CID 46231936) has the molecular formula C16H11FOS and a molecular weight of 270.33 g/mol. Its IUPAC name is 7-fluoro-2-(4-methylphenyl)chromene-4-thione.

Molecular Properties

Compound Name7-fluoro-2-(4-methylphenyl)chromene-4-thione
PubChem CID46231936
Molecular FormulaC16H11FOS
Molecular Weight270.33 g/mol
Exact Mass270.05
IUPAC Name7-fluoro-2-(4-methylphenyl)chromene-4-thione
SMILESCc1ccc(-c2cc(=S)c3ccc(F)cc3o2)cc1
InChIInChI=1S/C16H11FOS/c1-10-2-4-11(5-3-10)14-9-16(19)13-7-6-12(17)8-15(13)18-14/h2-9H,1H3
InChIKeySJJJFWHFSTWMGP-UHFFFAOYSA-N
XLogP5.28
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.33
LogP ≤ 55.28
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 7-fluoro-2-(4-methylphenyl)chromene-4-thione?
The IUPAC name of 7-fluoro-2-(4-methylphenyl)chromene-4-thione (CID 46231936) is 7-fluoro-2-(4-methylphenyl)chromene-4-thione.
What is the SMILES notation for 7-fluoro-2-(4-methylphenyl)chromene-4-thione?
The canonical SMILES for 7-fluoro-2-(4-methylphenyl)chromene-4-thione is Cc1ccc(-c2cc(=S)c3ccc(F)cc3o2)cc1.
What is the InChIKey of 7-fluoro-2-(4-methylphenyl)chromene-4-thione?
The InChIKey is SJJJFWHFSTWMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FOS/c1-10-2-4-11(5-3-10)14-9-16(19)13-7-6-12(17)8-15(13)18-14/h2-9H,1H3.
What are the key properties of 7-fluoro-2-(4-methylphenyl)chromene-4-thione?
7-fluoro-2-(4-methylphenyl)chromene-4-thione has a molecular weight of 270.33 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(4-methylphenyl)chromene-4-thione is sourced from PubChem (CID 46231936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).