6-bromoquinoline-5-thiol

C9H6BrNS — CID 136981755

IUPAC6-bromoquinoline-5-thiol
SMILESSc1c(Br)ccc2ncccc12
InChIInChI=1S/C9H6BrNS/c10-7-3-4-8-6(9(7)12)2-1-5-11-8/h1-5,12H
InChIKeyGYPLFMXMHVDNTL-UHFFFAOYSA-N
MW240.13 g/mol
LogP3.29
Rot. Bonds

About 6-bromoquinoline-5-thiol

6-bromoquinoline-5-thiol (PubChem CID 136981755) has the molecular formula C9H6BrNS and a molecular weight of 240.13 g/mol. Its IUPAC name is 6-bromoquinoline-5-thiol.

Molecular Properties

Compound Name6-bromoquinoline-5-thiol
PubChem CID136981755
Molecular FormulaC9H6BrNS
Molecular Weight240.13 g/mol
Exact Mass238.94
IUPAC Name6-bromoquinoline-5-thiol
SMILESSc1c(Br)ccc2ncccc12
InChIInChI=1S/C9H6BrNS/c10-7-3-4-8-6(9(7)12)2-1-5-11-8/h1-5,12H
InChIKeyGYPLFMXMHVDNTL-UHFFFAOYSA-N
XLogP3.29
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-bromoquinoline;ethane
CID 142484600
6-bromo-5-[(3R,4R)-3,4-dibromopyrrolidin-1-yl]quinoline
CID 118731126
6-azido-5-bromoquinoline
CID 152531044
5-bromoquinoline-6-carbonitrile
CID 175111450
5-bromoquinolin-8-ol;nickel
CID 175092761
5-bromoquinolin-7-ol
CID 136948962
6-N-(4-bromo-2,3-dichlorophenyl)quinoline-5,6-diamine
CID 107787021
5-bromo-6-ethoxyquinoline
CID 4197454
6-N-(2,6-dibromophenyl)quinoline-5,6-diamine
CID 107596522
6-(2-bromophenyl)sulfanylquinolin-5-amine
CID 43809931
5-bromo-6H-pyrrolo[3,4-b]pyridine
CID 67061254
1,7-phenanthroline;vanadium
CID 174318955

Frequently Asked Questions

What is the IUPAC name of 6-bromoquinoline-5-thiol?
The IUPAC name of 6-bromoquinoline-5-thiol (CID 136981755) is 6-bromoquinoline-5-thiol.
What is the SMILES notation for 6-bromoquinoline-5-thiol?
The canonical SMILES for 6-bromoquinoline-5-thiol is Sc1c(Br)ccc2ncccc12.
What is the InChIKey of 6-bromoquinoline-5-thiol?
The InChIKey is GYPLFMXMHVDNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNS/c10-7-3-4-8-6(9(7)12)2-1-5-11-8/h1-5,12H.
What are the key properties of 6-bromoquinoline-5-thiol?
6-bromoquinoline-5-thiol has a molecular weight of 240.13 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromoquinoline-5-thiol is sourced from PubChem (CID 136981755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).