4,4-dimethyl-5H-dithiolo[3,4-c]quinoline-1-thione

C12H11NS3 — CID 3090505

IUPAC4,4-dimethyl-5H-dithiolo[3,4-c]quinoline-1-thione
SMILESCC1(C)Nc2ccccc2-c2c1ssc2=S
InChIInChI=1S/C12H11NS3/c1-12(2)10-9(11(14)16-15-10)7-5-3-4-6-8(7)13-12/h3-6,13H,1-2H3
InChIKeyQAHMULIRAAEXKJ-UHFFFAOYSA-N
MW265.43 g/mol
LogP4.87
Rot. Bonds

About 4,4-dimethyl-5H-dithiolo[3,4-c]quinoline-1-thione

4,4-dimethyl-5H-dithiolo[3,4-c]quinoline-1-thione (PubChem CID 3090505) has the molecular formula C12H11NS3 and a molecular weight of 265.43 g/mol. Its IUPAC name is 4,4-dimethyl-5H-dithiolo[3,4-c]quinoline-1-thione.

Molecular Properties

Compound Name4,4-dimethyl-5H-dithiolo[3,4-c]quinoline-1-thione
PubChem CID3090505
Molecular FormulaC12H11NS3
Molecular Weight265.43 g/mol
Exact Mass265.01
IUPAC Name4,4-dimethyl-5H-dithiolo[3,4-c]quinoline-1-thione
SMILESCC1(C)Nc2ccccc2-c2c1ssc2=S
InChIInChI=1S/C12H11NS3/c1-12(2)10-9(11(14)16-15-10)7-5-3-4-6-8(7)13-12/h3-6,13H,1-2H3
InChIKeyQAHMULIRAAEXKJ-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4,4-dimethyl-5H-dithiolo[3,4-c]quinoline-1-thione?
The IUPAC name of 4,4-dimethyl-5H-dithiolo[3,4-c]quinoline-1-thione (CID 3090505) is 4,4-dimethyl-5H-dithiolo[3,4-c]quinoline-1-thione.
What is the SMILES notation for 4,4-dimethyl-5H-dithiolo[3,4-c]quinoline-1-thione?
The canonical SMILES for 4,4-dimethyl-5H-dithiolo[3,4-c]quinoline-1-thione is CC1(C)Nc2ccccc2-c2c1ssc2=S.
What is the InChIKey of 4,4-dimethyl-5H-dithiolo[3,4-c]quinoline-1-thione?
The InChIKey is QAHMULIRAAEXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS3/c1-12(2)10-9(11(14)16-15-10)7-5-3-4-6-8(7)13-12/h3-6,13H,1-2H3.
What are the key properties of 4,4-dimethyl-5H-dithiolo[3,4-c]quinoline-1-thione?
4,4-dimethyl-5H-dithiolo[3,4-c]quinoline-1-thione has a molecular weight of 265.43 g/mol, XLogP of 4.87, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5H-dithiolo[3,4-c]quinoline-1-thione is sourced from PubChem (CID 3090505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).