2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile

C16H8N2S2 — CID 3632903

IUPAC2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-c2cccs2)c(C#N)cc1-c1cccs1
InChIInChI=1S/C16H8N2S2/c17-9-11-8-14(16-4-2-6-20-16)12(10-18)7-13(11)15-3-1-5-19-15/h1-8H
InChIKeyFMFFPNLZXNZQIF-UHFFFAOYSA-N
MW292.39 g/mol
LogP4.89
Rot. Bonds2

About 2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile

2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile (PubChem CID 3632903) has the molecular formula C16H8N2S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile
PubChem CID3632903
Molecular FormulaC16H8N2S2
Molecular Weight292.39 g/mol
Exact Mass292.01
IUPAC Name2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-c2cccs2)c(C#N)cc1-c1cccs1
InChIInChI=1S/C16H8N2S2/c17-9-11-8-14(16-4-2-6-20-16)12(10-18)7-13(11)15-3-1-5-19-15/h1-8H
InChIKeyFMFFPNLZXNZQIF-UHFFFAOYSA-N
XLogP4.89
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-thiophen-2-ylbenzene-1,3-dicarbonitrile
CID 76539683
4-formyl-3-thiophen-2-ylbenzonitrile
CID 54376113
1-methoxy-2-thiophen-2-ylindole-5,6-dicarbonitrile
CID 142766488
amino-[3-(2-cyano-4-thiophen-2-ylphenyl)phenyl]-oxoazanium
CID 173156961
2-amino-4-thiophen-2-ylfuran-3-carbonitrile
CID 82044048
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
2-fluoro-4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile
CID 155806543
5-thiophen-2-ylthiophene-2-carbonitrile
CID 2739839
4-chloro-2-thiophen-2-ylpyrimidine-5-carbonitrile
CID 83707861
1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile
CID 82081814
3,6-dithiophen-2-ylbenzene-1,2-diol
CID 122606222
1-benzothiophene-5,6-dicarbonitrile
CID 14716418

Frequently Asked Questions

What is the IUPAC name of 2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile?
The IUPAC name of 2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile (CID 3632903) is 2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile.
What is the SMILES notation for 2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile?
The canonical SMILES for 2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile is N#Cc1cc(-c2cccs2)c(C#N)cc1-c1cccs1.
What is the InChIKey of 2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile?
The InChIKey is FMFFPNLZXNZQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8N2S2/c17-9-11-8-14(16-4-2-6-20-16)12(10-18)7-13(11)15-3-1-5-19-15/h1-8H.
What are the key properties of 2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile?
2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile has a molecular weight of 292.39 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile is sourced from PubChem (CID 3632903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).