6-(trifluoromethyl)-1H-quinoline-4-thione

C10H6F3NS — CID 2775247

IUPAC6-(trifluoromethyl)-1H-quinoline-4-thione
SMILESFC(F)(F)c1ccc2[nH]ccc(=S)c2c1
InChIInChI=1S/C10H6F3NS/c11-10(12,13)6-1-2-8-7(5-6)9(15)3-4-14-8/h1-5H,(H,14,15)
InChIKeyYJDNFPTZTNGNSH-UHFFFAOYSA-N
MW229.23 g/mol
LogP3.92
Rot. Bonds

About 6-(trifluoromethyl)-1H-quinoline-4-thione

6-(trifluoromethyl)-1H-quinoline-4-thione (PubChem CID 2775247) has the molecular formula C10H6F3NS and a molecular weight of 229.23 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1H-quinoline-4-thione.

Molecular Properties

Compound Name6-(trifluoromethyl)-1H-quinoline-4-thione
PubChem CID2775247
Molecular FormulaC10H6F3NS
Molecular Weight229.23 g/mol
Exact Mass229.02
IUPAC Name6-(trifluoromethyl)-1H-quinoline-4-thione
SMILESFC(F)(F)c1ccc2[nH]ccc(=S)c2c1
InChIInChI=1S/C10H6F3NS/c11-10(12,13)6-1-2-8-7(5-6)9(15)3-4-14-8/h1-5H,(H,14,15)
InChIKeyYJDNFPTZTNGNSH-UHFFFAOYSA-N
XLogP3.92
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(trifluoromethyl)-1H-quinoline-4-thione?
The IUPAC name of 6-(trifluoromethyl)-1H-quinoline-4-thione (CID 2775247) is 6-(trifluoromethyl)-1H-quinoline-4-thione.
What is the SMILES notation for 6-(trifluoromethyl)-1H-quinoline-4-thione?
The canonical SMILES for 6-(trifluoromethyl)-1H-quinoline-4-thione is FC(F)(F)c1ccc2[nH]ccc(=S)c2c1.
What is the InChIKey of 6-(trifluoromethyl)-1H-quinoline-4-thione?
The InChIKey is YJDNFPTZTNGNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NS/c11-10(12,13)6-1-2-8-7(5-6)9(15)3-4-14-8/h1-5H,(H,14,15).
What are the key properties of 6-(trifluoromethyl)-1H-quinoline-4-thione?
6-(trifluoromethyl)-1H-quinoline-4-thione has a molecular weight of 229.23 g/mol, XLogP of 3.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1H-quinoline-4-thione is sourced from PubChem (CID 2775247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).