3-(1-benzothiophen-3-yl)benzonitrile

C15H9NS — CID 3358914

IUPAC3-(1-benzothiophen-3-yl)benzonitrile
SMILESN#Cc1cccc(-c2csc3ccccc23)c1
InChIInChI=1S/C15H9NS/c16-9-11-4-3-5-12(8-11)14-10-17-15-7-2-1-6-13(14)15/h1-8,10H
InChIKeyWZNLOIMHCNJNFU-UHFFFAOYSA-N
MW235.31 g/mol
LogP4.44
Rot. Bonds1

About 3-(1-benzothiophen-3-yl)benzonitrile

3-(1-benzothiophen-3-yl)benzonitrile (PubChem CID 3358914) has the molecular formula C15H9NS and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)benzonitrile.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)benzonitrile
PubChem CID3358914
Molecular FormulaC15H9NS
Molecular Weight235.31 g/mol
Exact Mass235.05
IUPAC Name3-(1-benzothiophen-3-yl)benzonitrile
SMILESN#Cc1cccc(-c2csc3ccccc23)c1
InChIInChI=1S/C15H9NS/c16-9-11-4-3-5-12(8-11)14-10-17-15-7-2-1-6-13(14)15/h1-8,10H
InChIKeyWZNLOIMHCNJNFU-UHFFFAOYSA-N
XLogP4.44
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2,6-di(dibenzothiophen-3-yl)phenyl]benzonitrile
CID 146354885
3-[2,5-di(dibenzothiophen-2-yl)phenyl]benzonitrile
CID 146355551
3-(10-phenylanthracen-9-yl)benzonitrile
CID 89026886
3-(2-dibenzothiophen-2-yl-5-dibenzothiophen-3-ylphenyl)benzonitrile
CID 146354103
7-[2-(3-cyanophenyl)-3-dibenzothiophen-3-ylphenyl]dibenzothiophene-2-carbonitrile
CID 146354888
3-[2-(hydroxymethyl)phenyl]benzonitrile
CID 1392149
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile
CID 134317886
3-[2,3-di(carbazol-9-yl)-4-(3-cyanophenyl)phenyl]benzonitrile
CID 135136163
3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzonitrile
CID 134317943
3-[2,3,4-tri(carbazol-9-yl)-5-(3-cyanophenyl)phenyl]benzonitrile
CID 135130926
6-[3-(3-cyanophenyl)-5-dibenzothiophen-4-ylphenyl]dibenzothiophene-2-carbonitrile
CID 146354725
2-(3-cyanophenyl)-4-dibenzothiophen-1-yl-6-dibenzothiophen-2-ylbenzonitrile
CID 146354136

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)benzonitrile?
The IUPAC name of 3-(1-benzothiophen-3-yl)benzonitrile (CID 3358914) is 3-(1-benzothiophen-3-yl)benzonitrile.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)benzonitrile?
The canonical SMILES for 3-(1-benzothiophen-3-yl)benzonitrile is N#Cc1cccc(-c2csc3ccccc23)c1.
What is the InChIKey of 3-(1-benzothiophen-3-yl)benzonitrile?
The InChIKey is WZNLOIMHCNJNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NS/c16-9-11-4-3-5-12(8-11)14-10-17-15-7-2-1-6-13(14)15/h1-8,10H.
What are the key properties of 3-(1-benzothiophen-3-yl)benzonitrile?
3-(1-benzothiophen-3-yl)benzonitrile has a molecular weight of 235.31 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-yl)benzonitrile is sourced from PubChem (CID 3358914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).