6-bromo-7-fluoro-3,4-dihydro-1H-quinoline-2-thione

C9H7BrFNS — CID 89156068

IUPAC6-bromo-7-fluoro-3,4-dihydro-1H-quinoline-2-thione
SMILESFc1cc2c(cc1Br)CCC(=S)N2
InChIInChI=1S/C9H7BrFNS/c10-6-3-5-1-2-9(13)12-8(5)4-7(6)11/h3-4H,1-2H2,(H,12,13)
InChIKeyJAMZAJJBTKIHFP-UHFFFAOYSA-N
MW260.13 g/mol
LogP3.27
Rot. Bonds

About 6-bromo-7-fluoro-3,4-dihydro-1H-quinoline-2-thione

6-bromo-7-fluoro-3,4-dihydro-1H-quinoline-2-thione (PubChem CID 89156068) has the molecular formula C9H7BrFNS and a molecular weight of 260.13 g/mol. Its IUPAC name is 6-bromo-7-fluoro-3,4-dihydro-1H-quinoline-2-thione.

Molecular Properties

Compound Name6-bromo-7-fluoro-3,4-dihydro-1H-quinoline-2-thione
PubChem CID89156068
Molecular FormulaC9H7BrFNS
Molecular Weight260.13 g/mol
Exact Mass258.95
IUPAC Name6-bromo-7-fluoro-3,4-dihydro-1H-quinoline-2-thione
SMILESFc1cc2c(cc1Br)CCC(=S)N2
InChIInChI=1S/C9H7BrFNS/c10-6-3-5-1-2-9(13)12-8(5)4-7(6)11/h3-4H,1-2H2,(H,12,13)
InChIKeyJAMZAJJBTKIHFP-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 53.27
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-bromo-7-fluoro-3,4-dihydro-1H-quinoline-2-thione?
The IUPAC name of 6-bromo-7-fluoro-3,4-dihydro-1H-quinoline-2-thione (CID 89156068) is 6-bromo-7-fluoro-3,4-dihydro-1H-quinoline-2-thione.
What is the SMILES notation for 6-bromo-7-fluoro-3,4-dihydro-1H-quinoline-2-thione?
The canonical SMILES for 6-bromo-7-fluoro-3,4-dihydro-1H-quinoline-2-thione is Fc1cc2c(cc1Br)CCC(=S)N2.
What is the InChIKey of 6-bromo-7-fluoro-3,4-dihydro-1H-quinoline-2-thione?
The InChIKey is JAMZAJJBTKIHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFNS/c10-6-3-5-1-2-9(13)12-8(5)4-7(6)11/h3-4H,1-2H2,(H,12,13).
What are the key properties of 6-bromo-7-fluoro-3,4-dihydro-1H-quinoline-2-thione?
6-bromo-7-fluoro-3,4-dihydro-1H-quinoline-2-thione has a molecular weight of 260.13 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-3,4-dihydro-1H-quinoline-2-thione is sourced from PubChem (CID 89156068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).