2-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)propanedinitrile

C13H6N2S3 — CID 164701859

IUPAC2-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)propanedinitrile
SMILESN#CC(C#N)c1cc2sc(-c3cccs3)cc2s1
InChIInChI=1S/C13H6N2S3/c14-6-8(7-15)10-4-12-13(17-10)5-11(18-12)9-2-1-3-16-9/h1-5,8H
InChIKeyZBTOEHXUHQLZLI-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.82
Rot. Bonds2

About 2-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)propanedinitrile

2-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)propanedinitrile (PubChem CID 164701859) has the molecular formula C13H6N2S3 and a molecular weight of 286.41 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)propanedinitrile.

Molecular Properties

Compound Name2-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)propanedinitrile
PubChem CID164701859
Molecular FormulaC13H6N2S3
Molecular Weight286.41 g/mol
Exact Mass285.97
IUPAC Name2-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)propanedinitrile
SMILESN#CC(C#N)c1cc2sc(-c3cccs3)cc2s1
InChIInChI=1S/C13H6N2S3/c14-6-8(7-15)10-4-12-13(17-10)5-11(18-12)9-2-1-3-16-9/h1-5,8H
InChIKeyZBTOEHXUHQLZLI-UHFFFAOYSA-N
XLogP4.82
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)propanedinitrile?
The IUPAC name of 2-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)propanedinitrile (CID 164701859) is 2-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)propanedinitrile.
What is the SMILES notation for 2-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)propanedinitrile?
The canonical SMILES for 2-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)propanedinitrile is N#CC(C#N)c1cc2sc(-c3cccs3)cc2s1.
What is the InChIKey of 2-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)propanedinitrile?
The InChIKey is ZBTOEHXUHQLZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6N2S3/c14-6-8(7-15)10-4-12-13(17-10)5-11(18-12)9-2-1-3-16-9/h1-5,8H.
What are the key properties of 2-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)propanedinitrile?
2-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)propanedinitrile has a molecular weight of 286.41 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)propanedinitrile is sourced from PubChem (CID 164701859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).