4-sulfanylidene-1H-quinoline-2-carboxylic acid

C10H7NO2S — CID 3035667

IUPAC4-sulfanylidene-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=S)c2ccccc2[nH]1
InChIInChI=1S/C10H7NO2S/c12-10(13)8-5-9(14)6-3-1-2-4-7(6)11-8/h1-5H,(H,11,14)(H,12,13)
InChIKeyXZIHFALIJOJWOV-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.60
Rot. Bonds1

About 4-sulfanylidene-1H-quinoline-2-carboxylic acid

4-sulfanylidene-1H-quinoline-2-carboxylic acid (PubChem CID 3035667) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 4-sulfanylidene-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-sulfanylidene-1H-quinoline-2-carboxylic acid
PubChem CID3035667
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name4-sulfanylidene-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=S)c2ccccc2[nH]1
InChIInChI=1S/C10H7NO2S/c12-10(13)8-5-9(14)6-3-1-2-4-7(6)11-8/h1-5H,(H,11,14)(H,12,13)
InChIKeyXZIHFALIJOJWOV-UHFFFAOYSA-N
XLogP2.60
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.60
H-Bond Donors ≤ 52
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 4-sulfanylidene-1H-quinoline-2-carboxylic acid?
The IUPAC name of 4-sulfanylidene-1H-quinoline-2-carboxylic acid (CID 3035667) is 4-sulfanylidene-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 4-sulfanylidene-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 4-sulfanylidene-1H-quinoline-2-carboxylic acid is O=C(O)c1cc(=S)c2ccccc2[nH]1.
What is the InChIKey of 4-sulfanylidene-1H-quinoline-2-carboxylic acid?
The InChIKey is XZIHFALIJOJWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-10(13)8-5-9(14)6-3-1-2-4-7(6)11-8/h1-5H,(H,11,14)(H,12,13).
What are the key properties of 4-sulfanylidene-1H-quinoline-2-carboxylic acid?
4-sulfanylidene-1H-quinoline-2-carboxylic acid has a molecular weight of 205.24 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanylidene-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 3035667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).