7-bromo-1H-quinoline-2-thione

C9H6BrNS — CID 102537566

IUPAC7-bromo-1H-quinoline-2-thione
SMILESS=c1ccc2ccc(Br)cc2[nH]1
InChIInChI=1S/C9H6BrNS/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-5H,(H,11,12)
InChIKeyWDDHTQYFGMUJKC-UHFFFAOYSA-N
MW240.13 g/mol
LogP3.66
Rot. Bonds

About 7-bromo-1H-quinoline-2-thione

7-bromo-1H-quinoline-2-thione (PubChem CID 102537566) has the molecular formula C9H6BrNS and a molecular weight of 240.13 g/mol. Its IUPAC name is 7-bromo-1H-quinoline-2-thione.

Molecular Properties

Compound Name7-bromo-1H-quinoline-2-thione
PubChem CID102537566
Molecular FormulaC9H6BrNS
Molecular Weight240.13 g/mol
Exact Mass238.94
IUPAC Name7-bromo-1H-quinoline-2-thione
SMILESS=c1ccc2ccc(Br)cc2[nH]1
InChIInChI=1S/C9H6BrNS/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-5H,(H,11,12)
InChIKeyWDDHTQYFGMUJKC-UHFFFAOYSA-N
XLogP3.66
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 7-bromo-1H-quinoline-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-1H-quinoline-2-thione
CID 83637429
2-[(2S)-azetidin-2-yl]-6-bromo-1H-indole
CID 130730124
2,6-dibromonaphthalene
CID 640591
2-(6-bromo-1H-indol-2-yl)-5,6-dihydro-4H-1,3-oxazine
CID 70697609
7-bromo-2-oxo-1H-quinoline-3-carbaldehyde
CID 22690268
N-[(6-bromo-1H-indol-2-yl)methylidene]hydroxylamine
CID 171488099
7-bromo-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690288
6-bromo-2-octyl-1H-indole
CID 86224131
6-bromo-2-(ethylsulfonylmethyl)-1H-indole
CID 117180107
6-bromo-3H-1,3-benzothiazole-2-thione
CID 11322553
1-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021805
6-bromo-1,4-dihydroquinoxaline-2,3-dione
CID 5062264

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1H-quinoline-2-thione?
The IUPAC name of 7-bromo-1H-quinoline-2-thione (CID 102537566) is 7-bromo-1H-quinoline-2-thione.
What is the SMILES notation for 7-bromo-1H-quinoline-2-thione?
The canonical SMILES for 7-bromo-1H-quinoline-2-thione is S=c1ccc2ccc(Br)cc2[nH]1.
What is the InChIKey of 7-bromo-1H-quinoline-2-thione?
The InChIKey is WDDHTQYFGMUJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNS/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-5H,(H,11,12).
What are the key properties of 7-bromo-1H-quinoline-2-thione?
7-bromo-1H-quinoline-2-thione has a molecular weight of 240.13 g/mol, XLogP of 3.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1H-quinoline-2-thione is sourced from PubChem (CID 102537566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).