3-fluoro-9H-thioxanthene-9-carboxylic acid

C14H9FO2S — CID 139927368

IUPAC3-fluoro-9H-thioxanthene-9-carboxylic acid
SMILESO=C(O)C1c2ccccc2Sc2cc(F)ccc21
InChIInChI=1S/C14H9FO2S/c15-8-5-6-10-12(7-8)18-11-4-2-1-3-9(11)13(10)14(16)17/h1-7,13H,(H,16,17)
InChIKeyWEARRYZFVHLZIQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.51
Rot. Bonds1

About 3-fluoro-9H-thioxanthene-9-carboxylic acid

3-fluoro-9H-thioxanthene-9-carboxylic acid (PubChem CID 139927368) has the molecular formula C14H9FO2S and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-fluoro-9H-thioxanthene-9-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-9H-thioxanthene-9-carboxylic acid
PubChem CID139927368
Molecular FormulaC14H9FO2S
Molecular Weight260.29 g/mol
Exact Mass260.03
IUPAC Name3-fluoro-9H-thioxanthene-9-carboxylic acid
SMILESO=C(O)C1c2ccccc2Sc2cc(F)ccc21
InChIInChI=1S/C14H9FO2S/c15-8-5-6-10-12(7-8)18-11-4-2-1-3-9(11)13(10)14(16)17/h1-7,13H,(H,16,17)
InChIKeyWEARRYZFVHLZIQ-UHFFFAOYSA-N
XLogP3.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-9H-thioxanthene-9-carboxylic acid?
The IUPAC name of 3-fluoro-9H-thioxanthene-9-carboxylic acid (CID 139927368) is 3-fluoro-9H-thioxanthene-9-carboxylic acid.
What is the SMILES notation for 3-fluoro-9H-thioxanthene-9-carboxylic acid?
The canonical SMILES for 3-fluoro-9H-thioxanthene-9-carboxylic acid is O=C(O)C1c2ccccc2Sc2cc(F)ccc21.
What is the InChIKey of 3-fluoro-9H-thioxanthene-9-carboxylic acid?
The InChIKey is WEARRYZFVHLZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO2S/c15-8-5-6-10-12(7-8)18-11-4-2-1-3-9(11)13(10)14(16)17/h1-7,13H,(H,16,17).
What are the key properties of 3-fluoro-9H-thioxanthene-9-carboxylic acid?
3-fluoro-9H-thioxanthene-9-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-9H-thioxanthene-9-carboxylic acid is sourced from PubChem (CID 139927368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).