2,6-dimethyl-1H-quinoline-4-thione

C11H11NS — CID 790330

IUPAC2,6-dimethyl-1H-quinoline-4-thione
SMILESCc1ccc2[nH]c(C)cc(=S)c2c1
InChIInChI=1S/C11H11NS/c1-7-3-4-10-9(5-7)11(13)6-8(2)12-10/h3-6H,1-2H3,(H,12,13)
InChIKeyKGNSVSOLXJLRIJ-UHFFFAOYSA-N
MW189.28 g/mol
LogP3.51
Rot. Bonds

About 2,6-dimethyl-1H-quinoline-4-thione

2,6-dimethyl-1H-quinoline-4-thione (PubChem CID 790330) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 2,6-dimethyl-1H-quinoline-4-thione.

Molecular Properties

Compound Name2,6-dimethyl-1H-quinoline-4-thione
PubChem CID790330
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name2,6-dimethyl-1H-quinoline-4-thione
SMILESCc1ccc2[nH]c(C)cc(=S)c2c1
InChIInChI=1S/C11H11NS/c1-7-3-4-10-9(5-7)11(13)6-8(2)12-10/h3-6H,1-2H3,(H,12,13)
InChIKeyKGNSVSOLXJLRIJ-UHFFFAOYSA-N
XLogP3.51
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 53.51
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 2,6-dimethyl-1H-quinoline-4-thione?
The IUPAC name of 2,6-dimethyl-1H-quinoline-4-thione (CID 790330) is 2,6-dimethyl-1H-quinoline-4-thione.
What is the SMILES notation for 2,6-dimethyl-1H-quinoline-4-thione?
The canonical SMILES for 2,6-dimethyl-1H-quinoline-4-thione is Cc1ccc2[nH]c(C)cc(=S)c2c1.
What is the InChIKey of 2,6-dimethyl-1H-quinoline-4-thione?
The InChIKey is KGNSVSOLXJLRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c1-7-3-4-10-9(5-7)11(13)6-8(2)12-10/h3-6H,1-2H3,(H,12,13).
What are the key properties of 2,6-dimethyl-1H-quinoline-4-thione?
2,6-dimethyl-1H-quinoline-4-thione has a molecular weight of 189.28 g/mol, XLogP of 3.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1H-quinoline-4-thione is sourced from PubChem (CID 790330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).