7-ethyl-1-benzothiophene-6-carbonitrile

C11H9NS — CID 130064616

IUPAC7-ethyl-1-benzothiophene-6-carbonitrile
SMILESCCc1c(C#N)ccc2ccsc12
InChIInChI=1S/C11H9NS/c1-2-10-9(7-12)4-3-8-5-6-13-11(8)10/h3-6H,2H2,1H3
InChIKeyOAZAZNZUPTXXQE-UHFFFAOYSA-N
MW187.27 g/mol
LogP3.34
Rot. Bonds1

About 7-ethyl-1-benzothiophene-6-carbonitrile

7-ethyl-1-benzothiophene-6-carbonitrile (PubChem CID 130064616) has the molecular formula C11H9NS and a molecular weight of 187.27 g/mol. Its IUPAC name is 7-ethyl-1-benzothiophene-6-carbonitrile.

Molecular Properties

Compound Name7-ethyl-1-benzothiophene-6-carbonitrile
PubChem CID130064616
Molecular FormulaC11H9NS
Molecular Weight187.27 g/mol
Exact Mass187.05
IUPAC Name7-ethyl-1-benzothiophene-6-carbonitrile
SMILESCCc1c(C#N)ccc2ccsc12
InChIInChI=1S/C11H9NS/c1-2-10-9(7-12)4-3-8-5-6-13-11(8)10/h3-6H,2H2,1H3
InChIKeyOAZAZNZUPTXXQE-UHFFFAOYSA-N
XLogP3.34
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-ethyl-1-benzothiophene-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-benzothiophene-6-carbonitrile?
The IUPAC name of 7-ethyl-1-benzothiophene-6-carbonitrile (CID 130064616) is 7-ethyl-1-benzothiophene-6-carbonitrile.
What is the SMILES notation for 7-ethyl-1-benzothiophene-6-carbonitrile?
The canonical SMILES for 7-ethyl-1-benzothiophene-6-carbonitrile is CCc1c(C#N)ccc2ccsc12.
What is the InChIKey of 7-ethyl-1-benzothiophene-6-carbonitrile?
The InChIKey is OAZAZNZUPTXXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NS/c1-2-10-9(7-12)4-3-8-5-6-13-11(8)10/h3-6H,2H2,1H3.
What are the key properties of 7-ethyl-1-benzothiophene-6-carbonitrile?
7-ethyl-1-benzothiophene-6-carbonitrile has a molecular weight of 187.27 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-benzothiophene-6-carbonitrile is sourced from PubChem (CID 130064616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).