1-(2-bromophenyl)quinoline-2-thione

C15H10BrNS — CID 176515622

IUPAC1-(2-bromophenyl)quinoline-2-thione
SMILESS=c1ccc2ccccc2n1-c1ccccc1Br
InChIInChI=1S/C15H10BrNS/c16-12-6-2-4-8-14(12)17-13-7-3-1-5-11(13)9-10-15(17)18/h1-10H
InChIKeyZANPGNFIQJUFSL-UHFFFAOYSA-N
MW316.22 g/mol
LogP5.12
Rot. Bonds1

About 1-(2-bromophenyl)quinoline-2-thione

1-(2-bromophenyl)quinoline-2-thione (PubChem CID 176515622) has the molecular formula C15H10BrNS and a molecular weight of 316.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)quinoline-2-thione.

Molecular Properties

Compound Name1-(2-bromophenyl)quinoline-2-thione
PubChem CID176515622
Molecular FormulaC15H10BrNS
Molecular Weight316.22 g/mol
Exact Mass314.97
IUPAC Name1-(2-bromophenyl)quinoline-2-thione
SMILESS=c1ccc2ccccc2n1-c1ccccc1Br
InChIInChI=1S/C15H10BrNS/c16-12-6-2-4-8-14(12)17-13-7-3-1-5-11(13)9-10-15(17)18/h1-10H
InChIKeyZANPGNFIQJUFSL-UHFFFAOYSA-N
XLogP5.12
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.22
LogP ≤ 55.12
H-Bond Donors ≤ 50
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 1-(2-bromophenyl)quinoline-2-thione?
The IUPAC name of 1-(2-bromophenyl)quinoline-2-thione (CID 176515622) is 1-(2-bromophenyl)quinoline-2-thione.
What is the SMILES notation for 1-(2-bromophenyl)quinoline-2-thione?
The canonical SMILES for 1-(2-bromophenyl)quinoline-2-thione is S=c1ccc2ccccc2n1-c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)quinoline-2-thione?
The InChIKey is ZANPGNFIQJUFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNS/c16-12-6-2-4-8-14(12)17-13-7-3-1-5-11(13)9-10-15(17)18/h1-10H.
What are the key properties of 1-(2-bromophenyl)quinoline-2-thione?
1-(2-bromophenyl)quinoline-2-thione has a molecular weight of 316.22 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)quinoline-2-thione is sourced from PubChem (CID 176515622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).