2-thiophen-2-ylsulfanylquinoline-4-carbonitrile

C14H8N2S2 — CID 63884513

IUPAC2-thiophen-2-ylsulfanylquinoline-4-carbonitrile
SMILESN#Cc1cc(Sc2cccs2)nc2ccccc12
InChIInChI=1S/C14H8N2S2/c15-9-10-8-13(18-14-6-3-7-17-14)16-12-5-2-1-4-11(10)12/h1-8H
InChIKeyWTBYVDKALHKXJF-UHFFFAOYSA-N
MW268.37 g/mol
LogP4.32
Rot. Bonds2

About 2-thiophen-2-ylsulfanylquinoline-4-carbonitrile

2-thiophen-2-ylsulfanylquinoline-4-carbonitrile (PubChem CID 63884513) has the molecular formula C14H8N2S2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 2-thiophen-2-ylsulfanylquinoline-4-carbonitrile.

Molecular Properties

Compound Name2-thiophen-2-ylsulfanylquinoline-4-carbonitrile
PubChem CID63884513
Molecular FormulaC14H8N2S2
Molecular Weight268.37 g/mol
Exact Mass268.01
IUPAC Name2-thiophen-2-ylsulfanylquinoline-4-carbonitrile
SMILESN#Cc1cc(Sc2cccs2)nc2ccccc12
InChIInChI=1S/C14H8N2S2/c15-9-10-8-13(18-14-6-3-7-17-14)16-12-5-2-1-4-11(10)12/h1-8H
InChIKeyWTBYVDKALHKXJF-UHFFFAOYSA-N
XLogP4.32
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylsulfanylquinoline-4-carbonitrile?
The IUPAC name of 2-thiophen-2-ylsulfanylquinoline-4-carbonitrile (CID 63884513) is 2-thiophen-2-ylsulfanylquinoline-4-carbonitrile.
What is the SMILES notation for 2-thiophen-2-ylsulfanylquinoline-4-carbonitrile?
The canonical SMILES for 2-thiophen-2-ylsulfanylquinoline-4-carbonitrile is N#Cc1cc(Sc2cccs2)nc2ccccc12.
What is the InChIKey of 2-thiophen-2-ylsulfanylquinoline-4-carbonitrile?
The InChIKey is WTBYVDKALHKXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2S2/c15-9-10-8-13(18-14-6-3-7-17-14)16-12-5-2-1-4-11(10)12/h1-8H.
What are the key properties of 2-thiophen-2-ylsulfanylquinoline-4-carbonitrile?
2-thiophen-2-ylsulfanylquinoline-4-carbonitrile has a molecular weight of 268.37 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylsulfanylquinoline-4-carbonitrile is sourced from PubChem (CID 63884513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).