7-chloro-1H-quinoline-2-thione

C9H6ClNS — CID 83637429

IUPAC7-chloro-1H-quinoline-2-thione
SMILESS=c1ccc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C9H6ClNS/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-5H,(H,11,12)
InChIKeyUERZAFWQIDTVNS-UHFFFAOYSA-N
MW195.67 g/mol
LogP3.55
Rot. Bonds

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

7-chloro-1H-quinoline-2-thione (PubChem CID 83637429) has the molecular formula C9H6ClNS and a molecular weight of 195.67 g/mol. Its IUPAC name is 7-chloro-1H-quinoline-2-thione.

Molecular Properties

Compound Name7-chloro-1H-quinoline-2-thione
PubChem CID83637429
Molecular FormulaC9H6ClNS
Molecular Weight195.67 g/mol
Exact Mass194.99
IUPAC Name7-chloro-1H-quinoline-2-thione
SMILESS=c1ccc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C9H6ClNS/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-5H,(H,11,12)
InChIKeyUERZAFWQIDTVNS-UHFFFAOYSA-N
XLogP3.55
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.67
LogP ≤ 53.55
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 7-chloro-1H-quinoline-2-thione?
The IUPAC name of 7-chloro-1H-quinoline-2-thione (CID 83637429) is 7-chloro-1H-quinoline-2-thione.
What is the SMILES notation for 7-chloro-1H-quinoline-2-thione?
The canonical SMILES for 7-chloro-1H-quinoline-2-thione is S=c1ccc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 7-chloro-1H-quinoline-2-thione?
The InChIKey is UERZAFWQIDTVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNS/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-chloro-1H-quinoline-2-thione?
7-chloro-1H-quinoline-2-thione has a molecular weight of 195.67 g/mol, XLogP of 3.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1H-quinoline-2-thione is sourced from PubChem (CID 83637429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).