7-chloroquinoline-8-thiol

C9H6ClNS — CID 86200292

IUPAC7-chloroquinoline-8-thiol
SMILESSc1c(Cl)ccc2cccnc12
InChIInChI=1S/C9H6ClNS/c10-7-4-3-6-2-1-5-11-8(6)9(7)12/h1-5,12H
InChIKeyIJLFBCSVZINWHR-UHFFFAOYSA-N
MW195.67 g/mol
LogP3.18
Rot. Bonds

About 7-chloroquinoline-8-thiol

7-chloroquinoline-8-thiol (PubChem CID 86200292) has the molecular formula C9H6ClNS and a molecular weight of 195.67 g/mol. Its IUPAC name is 7-chloroquinoline-8-thiol.

Molecular Properties

Compound Name7-chloroquinoline-8-thiol
PubChem CID86200292
Molecular FormulaC9H6ClNS
Molecular Weight195.67 g/mol
Exact Mass194.99
IUPAC Name7-chloroquinoline-8-thiol
SMILESSc1c(Cl)ccc2cccnc12
InChIInChI=1S/C9H6ClNS/c10-7-4-3-6-2-1-5-11-8(6)9(7)12/h1-5,12H
InChIKeyIJLFBCSVZINWHR-UHFFFAOYSA-N
XLogP3.18
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.67
LogP ≤ 53.18
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

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europium;1,10-phenanthroline
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8-chloroquinoline;ethane
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dichlororuthenium;tris(1,10-phenanthroline);hexahydrate
CID 53393580
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CID 158916437
bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate
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Frequently Asked Questions

What is the IUPAC name of 7-chloroquinoline-8-thiol?
The IUPAC name of 7-chloroquinoline-8-thiol (CID 86200292) is 7-chloroquinoline-8-thiol.
What is the SMILES notation for 7-chloroquinoline-8-thiol?
The canonical SMILES for 7-chloroquinoline-8-thiol is Sc1c(Cl)ccc2cccnc12.
What is the InChIKey of 7-chloroquinoline-8-thiol?
The InChIKey is IJLFBCSVZINWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNS/c10-7-4-3-6-2-1-5-11-8(6)9(7)12/h1-5,12H.
What are the key properties of 7-chloroquinoline-8-thiol?
7-chloroquinoline-8-thiol has a molecular weight of 195.67 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloroquinoline-8-thiol is sourced from PubChem (CID 86200292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).