2-(2-cyanophenyl)-1-benzothiophene-3-carbonitrile

C16H8N2S — CID 46228074

IUPAC2-(2-cyanophenyl)-1-benzothiophene-3-carbonitrile
SMILESN#Cc1ccccc1-c1sc2ccccc2c1C#N
InChIInChI=1S/C16H8N2S/c17-9-11-5-1-2-6-12(11)16-14(10-18)13-7-3-4-8-15(13)19-16/h1-8H
InChIKeyNTSOIWXYBIWQCJ-UHFFFAOYSA-N
MW260.32 g/mol
LogP4.31
Rot. Bonds1

About 2-(2-cyanophenyl)-1-benzothiophene-3-carbonitrile

2-(2-cyanophenyl)-1-benzothiophene-3-carbonitrile (PubChem CID 46228074) has the molecular formula C16H8N2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-1-benzothiophene-3-carbonitrile.

Molecular Properties

Compound Name2-(2-cyanophenyl)-1-benzothiophene-3-carbonitrile
PubChem CID46228074
Molecular FormulaC16H8N2S
Molecular Weight260.32 g/mol
Exact Mass260.04
IUPAC Name2-(2-cyanophenyl)-1-benzothiophene-3-carbonitrile
SMILESN#Cc1ccccc1-c1sc2ccccc2c1C#N
InChIInChI=1S/C16H8N2S/c17-9-11-5-1-2-6-12(11)16-14(10-18)13-7-3-4-8-15(13)19-16/h1-8H
InChIKeyNTSOIWXYBIWQCJ-UHFFFAOYSA-N
XLogP4.31
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-1-benzothiophene-3-carbonitrile?
The IUPAC name of 2-(2-cyanophenyl)-1-benzothiophene-3-carbonitrile (CID 46228074) is 2-(2-cyanophenyl)-1-benzothiophene-3-carbonitrile.
What is the SMILES notation for 2-(2-cyanophenyl)-1-benzothiophene-3-carbonitrile?
The canonical SMILES for 2-(2-cyanophenyl)-1-benzothiophene-3-carbonitrile is N#Cc1ccccc1-c1sc2ccccc2c1C#N.
What is the InChIKey of 2-(2-cyanophenyl)-1-benzothiophene-3-carbonitrile?
The InChIKey is NTSOIWXYBIWQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8N2S/c17-9-11-5-1-2-6-12(11)16-14(10-18)13-7-3-4-8-15(13)19-16/h1-8H.
What are the key properties of 2-(2-cyanophenyl)-1-benzothiophene-3-carbonitrile?
2-(2-cyanophenyl)-1-benzothiophene-3-carbonitrile has a molecular weight of 260.32 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-1-benzothiophene-3-carbonitrile is sourced from PubChem (CID 46228074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).