6-fluoro-4-sulfanylidenechromene-3-carboxylic acid

C10H5FO3S — CID 57209148

IUPAC6-fluoro-4-sulfanylidenechromene-3-carboxylic acid
SMILESO=C(O)c1coc2ccc(F)cc2c1=S
InChIInChI=1S/C10H5FO3S/c11-5-1-2-8-6(3-5)9(15)7(4-14-8)10(12)13/h1-4H,(H,12,13)
InChIKeyKTIXHSLDDXKPJQ-UHFFFAOYSA-N
MW224.21 g/mol
LogP3.00
Rot. Bonds1

About 6-fluoro-4-sulfanylidenechromene-3-carboxylic acid

6-fluoro-4-sulfanylidenechromene-3-carboxylic acid (PubChem CID 57209148) has the molecular formula C10H5FO3S and a molecular weight of 224.21 g/mol. Its IUPAC name is 6-fluoro-4-sulfanylidenechromene-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-4-sulfanylidenechromene-3-carboxylic acid
PubChem CID57209148
Molecular FormulaC10H5FO3S
Molecular Weight224.21 g/mol
Exact Mass223.99
IUPAC Name6-fluoro-4-sulfanylidenechromene-3-carboxylic acid
SMILESO=C(O)c1coc2ccc(F)cc2c1=S
InChIInChI=1S/C10H5FO3S/c11-5-1-2-8-6(3-5)9(15)7(4-14-8)10(12)13/h1-4H,(H,12,13)
InChIKeyKTIXHSLDDXKPJQ-UHFFFAOYSA-N
XLogP3.00
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-fluoro-4-sulfanylidenechromene-3-carboxylic acid?
The IUPAC name of 6-fluoro-4-sulfanylidenechromene-3-carboxylic acid (CID 57209148) is 6-fluoro-4-sulfanylidenechromene-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-4-sulfanylidenechromene-3-carboxylic acid?
The canonical SMILES for 6-fluoro-4-sulfanylidenechromene-3-carboxylic acid is O=C(O)c1coc2ccc(F)cc2c1=S.
What is the InChIKey of 6-fluoro-4-sulfanylidenechromene-3-carboxylic acid?
The InChIKey is KTIXHSLDDXKPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5FO3S/c11-5-1-2-8-6(3-5)9(15)7(4-14-8)10(12)13/h1-4H,(H,12,13).
What are the key properties of 6-fluoro-4-sulfanylidenechromene-3-carboxylic acid?
6-fluoro-4-sulfanylidenechromene-3-carboxylic acid has a molecular weight of 224.21 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-sulfanylidenechromene-3-carboxylic acid is sourced from PubChem (CID 57209148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).