pentafluoro-(4-phenyl-2-thiophen-2-ylquinolin-6-yl)-λ6-sulfane

C19H12F5NS2 — CID 122383439

IUPACpentafluoro-(4-phenyl-2-thiophen-2-ylquinolin-6-yl)-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc2nc(-c3cccs3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C19H12F5NS2/c20-27(21,22,23,24)14-8-9-17-16(11-14)15(13-5-2-1-3-6-13)12-18(25-17)19-7-4-10-26-19/h1-12H
InChIKeyAVKDIVCGNKIWKO-UHFFFAOYSA-N
MW413.44 g/mol
LogP8.29
Rot. Bonds3

About pentafluoro-(4-phenyl-2-thiophen-2-ylquinolin-6-yl)-λ6-sulfane

pentafluoro-(4-phenyl-2-thiophen-2-ylquinolin-6-yl)-λ6-sulfane (PubChem CID 122383439) has the molecular formula C19H12F5NS2 and a molecular weight of 413.44 g/mol. Its IUPAC name is pentafluoro-(4-phenyl-2-thiophen-2-ylquinolin-6-yl)-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-(4-phenyl-2-thiophen-2-ylquinolin-6-yl)-λ6-sulfane
PubChem CID122383439
Molecular FormulaC19H12F5NS2
Molecular Weight413.44 g/mol
Exact Mass413.03
IUPAC Namepentafluoro-(4-phenyl-2-thiophen-2-ylquinolin-6-yl)-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc2nc(-c3cccs3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C19H12F5NS2/c20-27(21,22,23,24)14-8-9-17-16(11-14)15(13-5-2-1-3-6-13)12-18(25-17)19-7-4-10-26-19/h1-12H
InChIKeyAVKDIVCGNKIWKO-UHFFFAOYSA-N
XLogP8.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.44
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pentafluoro-(4-phenyl-2-thiophen-2-ylquinolin-6-yl)-λ6-sulfane?
The IUPAC name of pentafluoro-(4-phenyl-2-thiophen-2-ylquinolin-6-yl)-λ6-sulfane (CID 122383439) is pentafluoro-(4-phenyl-2-thiophen-2-ylquinolin-6-yl)-λ6-sulfane.
What is the SMILES notation for pentafluoro-(4-phenyl-2-thiophen-2-ylquinolin-6-yl)-λ6-sulfane?
The canonical SMILES for pentafluoro-(4-phenyl-2-thiophen-2-ylquinolin-6-yl)-λ6-sulfane is FS(F)(F)(F)(F)c1ccc2nc(-c3cccs3)cc(-c3ccccc3)c2c1.
What is the InChIKey of pentafluoro-(4-phenyl-2-thiophen-2-ylquinolin-6-yl)-λ6-sulfane?
The InChIKey is AVKDIVCGNKIWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5NS2/c20-27(21,22,23,24)14-8-9-17-16(11-14)15(13-5-2-1-3-6-13)12-18(25-17)19-7-4-10-26-19/h1-12H.
What are the key properties of pentafluoro-(4-phenyl-2-thiophen-2-ylquinolin-6-yl)-λ6-sulfane?
pentafluoro-(4-phenyl-2-thiophen-2-ylquinolin-6-yl)-λ6-sulfane has a molecular weight of 413.44 g/mol, XLogP of 8.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-(4-phenyl-2-thiophen-2-ylquinolin-6-yl)-λ6-sulfane is sourced from PubChem (CID 122383439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).