5-chloro-8-methyl-1H-quinoline-4-thione

C10H8ClNS — CID 50877749

IUPAC5-chloro-8-methyl-1H-quinoline-4-thione
SMILESCc1ccc(Cl)c2c(=S)cc[nH]c12
InChIInChI=1S/C10H8ClNS/c1-6-2-3-7(11)9-8(13)4-5-12-10(6)9/h2-5H,1H3,(H,12,13)
InChIKeyCHQTZZVTBXSWIS-UHFFFAOYSA-N
MW209.70 g/mol
LogP3.86
Rot. Bonds

About 5-chloro-8-methyl-1H-quinoline-4-thione

5-chloro-8-methyl-1H-quinoline-4-thione (PubChem CID 50877749) has the molecular formula C10H8ClNS and a molecular weight of 209.70 g/mol. Its IUPAC name is 5-chloro-8-methyl-1H-quinoline-4-thione.

Molecular Properties

Compound Name5-chloro-8-methyl-1H-quinoline-4-thione
PubChem CID50877749
Molecular FormulaC10H8ClNS
Molecular Weight209.70 g/mol
Exact Mass209.01
IUPAC Name5-chloro-8-methyl-1H-quinoline-4-thione
SMILESCc1ccc(Cl)c2c(=S)cc[nH]c12
InChIInChI=1S/C10H8ClNS/c1-6-2-3-7(11)9-8(13)4-5-12-10(6)9/h2-5H,1H3,(H,12,13)
InChIKeyCHQTZZVTBXSWIS-UHFFFAOYSA-N
XLogP3.86
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.70
LogP ≤ 53.86
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 5-chloro-8-methyl-1H-quinoline-4-thione?
The IUPAC name of 5-chloro-8-methyl-1H-quinoline-4-thione (CID 50877749) is 5-chloro-8-methyl-1H-quinoline-4-thione.
What is the SMILES notation for 5-chloro-8-methyl-1H-quinoline-4-thione?
The canonical SMILES for 5-chloro-8-methyl-1H-quinoline-4-thione is Cc1ccc(Cl)c2c(=S)cc[nH]c12.
What is the InChIKey of 5-chloro-8-methyl-1H-quinoline-4-thione?
The InChIKey is CHQTZZVTBXSWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNS/c1-6-2-3-7(11)9-8(13)4-5-12-10(6)9/h2-5H,1H3,(H,12,13).
What are the key properties of 5-chloro-8-methyl-1H-quinoline-4-thione?
5-chloro-8-methyl-1H-quinoline-4-thione has a molecular weight of 209.70 g/mol, XLogP of 3.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-methyl-1H-quinoline-4-thione is sourced from PubChem (CID 50877749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).