2-(1-benzothiophen-2-yl)benzonitrile

C15H9NS — CID 4137518

IUPAC2-(1-benzothiophen-2-yl)benzonitrile
SMILESN#Cc1ccccc1-c1cc2ccccc2s1
InChIInChI=1S/C15H9NS/c16-10-12-6-1-3-7-13(12)15-9-11-5-2-4-8-14(11)17-15/h1-9H
InChIKeyPVNAFCFCFUGKCD-UHFFFAOYSA-N
MW235.31 g/mol
LogP4.44
Rot. Bonds1

About 2-(1-benzothiophen-2-yl)benzonitrile

2-(1-benzothiophen-2-yl)benzonitrile (PubChem CID 4137518) has the molecular formula C15H9NS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)benzonitrile.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)benzonitrile
PubChem CID4137518
Molecular FormulaC15H9NS
Molecular Weight235.31 g/mol
Exact Mass235.05
IUPAC Name2-(1-benzothiophen-2-yl)benzonitrile
SMILESN#Cc1ccccc1-c1cc2ccccc2s1
InChIInChI=1S/C15H9NS/c16-10-12-6-1-3-7-13(12)15-9-11-5-2-4-8-14(11)17-15/h1-9H
InChIKeyPVNAFCFCFUGKCD-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

Dibenzothiophene
CID 3023
Benzo[b]thiophene-3-acetonitrile
CID 76681
Benzo(b)thiophene-2-carbonitrile
CID 108686
Benzo[b]thiophene-3-carbonitrile
CID 11435093
4-Methyldibenzothiophene
CID 30364
1-Benzothiophene-5-carbonitrile
CID 2795452
2-[(E)-2-(3,4,5-triethylphenyl)ethenyl]-1-benzothiophene
CID 122183839
Benzo[e][1]benzothiole-4,8-dicarbonitrile
CID 155566836
2-Phenyl-1-benzothiophene
CID 610886
3-Iodo-2-phenylbenzo[b]thiophene
CID 11302118
1-Methyldibenzothiophene
CID 23839
Dibenzothiophene, 1,2,3,4-tetrahydro-
CID 85501

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)benzonitrile?
The IUPAC name of 2-(1-benzothiophen-2-yl)benzonitrile (CID 4137518) is 2-(1-benzothiophen-2-yl)benzonitrile.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)benzonitrile?
The canonical SMILES for 2-(1-benzothiophen-2-yl)benzonitrile is N#Cc1ccccc1-c1cc2ccccc2s1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)benzonitrile?
The InChIKey is PVNAFCFCFUGKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NS/c16-10-12-6-1-3-7-13(12)15-9-11-5-2-4-8-14(11)17-15/h1-9H.
What are the key properties of 2-(1-benzothiophen-2-yl)benzonitrile?
2-(1-benzothiophen-2-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 2-(1-benzothiophen-2-yl)benzonitrile is sourced from PubChem (CID 4137518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).