1,2,3,5-tetrahydrocyclopenta[c]quinoline-4-thione

C12H11NS — CID 686232

IUPAC1,2,3,5-tetrahydrocyclopenta[c]quinoline-4-thione
SMILESS=c1[nH]c2ccccc2c2c1CCC2
InChIInChI=1S/C12H11NS/c14-12-10-6-3-5-8(10)9-4-1-2-7-11(9)13-12/h1-2,4,7H,3,5-6H2,(H,13,14)
InChIKeyINEAHZZJVBJVOH-UHFFFAOYSA-N
MW201.29 g/mol
LogP3.39
Rot. Bonds

About 1,2,3,5-tetrahydrocyclopenta[c]quinoline-4-thione

1,2,3,5-tetrahydrocyclopenta[c]quinoline-4-thione (PubChem CID 686232) has the molecular formula C12H11NS and a molecular weight of 201.29 g/mol. Its IUPAC name is 1,2,3,5-tetrahydrocyclopenta[c]quinoline-4-thione.

Molecular Properties

Compound Name1,2,3,5-tetrahydrocyclopenta[c]quinoline-4-thione
PubChem CID686232
Molecular FormulaC12H11NS
Molecular Weight201.29 g/mol
Exact Mass201.06
IUPAC Name1,2,3,5-tetrahydrocyclopenta[c]quinoline-4-thione
SMILESS=c1[nH]c2ccccc2c2c1CCC2
InChIInChI=1S/C12H11NS/c14-12-10-6-3-5-8(10)9-4-1-2-7-11(9)13-12/h1-2,4,7H,3,5-6H2,(H,13,14)
InChIKeyINEAHZZJVBJVOH-UHFFFAOYSA-N
XLogP3.39
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 53.39
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 1,2,3,5-tetrahydrocyclopenta[c]quinoline-4-thione?
The IUPAC name of 1,2,3,5-tetrahydrocyclopenta[c]quinoline-4-thione (CID 686232) is 1,2,3,5-tetrahydrocyclopenta[c]quinoline-4-thione.
What is the SMILES notation for 1,2,3,5-tetrahydrocyclopenta[c]quinoline-4-thione?
The canonical SMILES for 1,2,3,5-tetrahydrocyclopenta[c]quinoline-4-thione is S=c1[nH]c2ccccc2c2c1CCC2.
What is the InChIKey of 1,2,3,5-tetrahydrocyclopenta[c]quinoline-4-thione?
The InChIKey is INEAHZZJVBJVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS/c14-12-10-6-3-5-8(10)9-4-1-2-7-11(9)13-12/h1-2,4,7H,3,5-6H2,(H,13,14).
What are the key properties of 1,2,3,5-tetrahydrocyclopenta[c]quinoline-4-thione?
1,2,3,5-tetrahydrocyclopenta[c]quinoline-4-thione has a molecular weight of 201.29 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrahydrocyclopenta[c]quinoline-4-thione is sourced from PubChem (CID 686232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).