3,4,5,6-tetramethyl-1H-quinoline-2-thione

C13H15NS — CID 126724065

IUPAC3,4,5,6-tetramethyl-1H-quinoline-2-thione
SMILESCc1ccc2[nH]c(=S)c(C)c(C)c2c1C
InChIInChI=1S/C13H15NS/c1-7-5-6-11-12(8(7)2)9(3)10(4)13(15)14-11/h5-6H,1-4H3,(H,14,15)
InChIKeyVLLWMNAAEXXVBC-UHFFFAOYSA-N
MW217.34 g/mol
LogP4.13
Rot. Bonds

About 3,4,5,6-tetramethyl-1H-quinoline-2-thione

3,4,5,6-tetramethyl-1H-quinoline-2-thione (PubChem CID 126724065) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 3,4,5,6-tetramethyl-1H-quinoline-2-thione.

Molecular Properties

Compound Name3,4,5,6-tetramethyl-1H-quinoline-2-thione
PubChem CID126724065
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name3,4,5,6-tetramethyl-1H-quinoline-2-thione
SMILESCc1ccc2[nH]c(=S)c(C)c(C)c2c1C
InChIInChI=1S/C13H15NS/c1-7-5-6-11-12(8(7)2)9(3)10(4)13(15)14-11/h5-6H,1-4H3,(H,14,15)
InChIKeyVLLWMNAAEXXVBC-UHFFFAOYSA-N
XLogP4.13
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 54.13
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 3,4,5,6-tetramethyl-1H-quinoline-2-thione?
The IUPAC name of 3,4,5,6-tetramethyl-1H-quinoline-2-thione (CID 126724065) is 3,4,5,6-tetramethyl-1H-quinoline-2-thione.
What is the SMILES notation for 3,4,5,6-tetramethyl-1H-quinoline-2-thione?
The canonical SMILES for 3,4,5,6-tetramethyl-1H-quinoline-2-thione is Cc1ccc2[nH]c(=S)c(C)c(C)c2c1C.
What is the InChIKey of 3,4,5,6-tetramethyl-1H-quinoline-2-thione?
The InChIKey is VLLWMNAAEXXVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-7-5-6-11-12(8(7)2)9(3)10(4)13(15)14-11/h5-6H,1-4H3,(H,14,15).
What are the key properties of 3,4,5,6-tetramethyl-1H-quinoline-2-thione?
3,4,5,6-tetramethyl-1H-quinoline-2-thione has a molecular weight of 217.34 g/mol, XLogP of 4.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetramethyl-1H-quinoline-2-thione is sourced from PubChem (CID 126724065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).