1,6-dimethylquinoline-2-thione

C11H11NS — CID 2827527

IUPAC1,6-dimethylquinoline-2-thione
SMILESCc1ccc2c(ccc(=S)n2C)c1
InChIInChI=1S/C11H11NS/c1-8-3-5-10-9(7-8)4-6-11(13)12(10)2/h3-7H,1-2H3
InChIKeyAXROZUURLKMNJQ-UHFFFAOYSA-N
MW189.28 g/mol
LogP3.22
Rot. Bonds

About 1,6-dimethylquinoline-2-thione

1,6-dimethylquinoline-2-thione (PubChem CID 2827527) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 1,6-dimethylquinoline-2-thione.

Molecular Properties

Compound Name1,6-dimethylquinoline-2-thione
PubChem CID2827527
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name1,6-dimethylquinoline-2-thione
SMILESCc1ccc2c(ccc(=S)n2C)c1
InChIInChI=1S/C11H11NS/c1-8-3-5-10-9(7-8)4-6-11(13)12(10)2/h3-7H,1-2H3
InChIKeyAXROZUURLKMNJQ-UHFFFAOYSA-N
XLogP3.22
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,6-dimethylquinoline-2-thione?
The IUPAC name of 1,6-dimethylquinoline-2-thione (CID 2827527) is 1,6-dimethylquinoline-2-thione.
What is the SMILES notation for 1,6-dimethylquinoline-2-thione?
The canonical SMILES for 1,6-dimethylquinoline-2-thione is Cc1ccc2c(ccc(=S)n2C)c1.
What is the InChIKey of 1,6-dimethylquinoline-2-thione?
The InChIKey is AXROZUURLKMNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c1-8-3-5-10-9(7-8)4-6-11(13)12(10)2/h3-7H,1-2H3.
What are the key properties of 1,6-dimethylquinoline-2-thione?
1,6-dimethylquinoline-2-thione has a molecular weight of 189.28 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylquinoline-2-thione is sourced from PubChem (CID 2827527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).