4,7-dimethyl-1H-quinoline-2-thione

C11H11NS — CID 3404081

IUPAC4,7-dimethyl-1H-quinoline-2-thione
SMILESCc1ccc2c(C)cc(=S)[nH]c2c1
InChIInChI=1S/C11H11NS/c1-7-3-4-9-8(2)6-11(13)12-10(9)5-7/h3-6H,1-2H3,(H,12,13)
InChIKeyVBWHJNKSSZEICG-UHFFFAOYSA-N
MW189.28 g/mol
LogP3.51
Rot. Bonds

About 4,7-dimethyl-1H-quinoline-2-thione

4,7-dimethyl-1H-quinoline-2-thione (PubChem CID 3404081) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 4,7-dimethyl-1H-quinoline-2-thione.

Molecular Properties

Compound Name4,7-dimethyl-1H-quinoline-2-thione
PubChem CID3404081
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name4,7-dimethyl-1H-quinoline-2-thione
SMILESCc1ccc2c(C)cc(=S)[nH]c2c1
InChIInChI=1S/C11H11NS/c1-7-3-4-9-8(2)6-11(13)12-10(9)5-7/h3-6H,1-2H3,(H,12,13)
InChIKeyVBWHJNKSSZEICG-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 4,7-dimethyl-1H-quinoline-2-thione?
The IUPAC name of 4,7-dimethyl-1H-quinoline-2-thione (CID 3404081) is 4,7-dimethyl-1H-quinoline-2-thione.
What is the SMILES notation for 4,7-dimethyl-1H-quinoline-2-thione?
The canonical SMILES for 4,7-dimethyl-1H-quinoline-2-thione is Cc1ccc2c(C)cc(=S)[nH]c2c1.
What is the InChIKey of 4,7-dimethyl-1H-quinoline-2-thione?
The InChIKey is VBWHJNKSSZEICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c1-7-3-4-9-8(2)6-11(13)12-10(9)5-7/h3-6H,1-2H3,(H,12,13).
What are the key properties of 4,7-dimethyl-1H-quinoline-2-thione?
4,7-dimethyl-1H-quinoline-2-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 4,7-dimethyl-1H-quinoline-2-thione is sourced from PubChem (CID 3404081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).