4-methoxy-1-benzothiophene-7-carbonitrile

C10H7NOS — CID 68709277

IUPAC4-methoxy-1-benzothiophene-7-carbonitrile
SMILESCOc1ccc(C#N)c2sccc12
InChIInChI=1S/C10H7NOS/c1-12-9-3-2-7(6-11)10-8(9)4-5-13-10/h2-5H,1H3
InChIKeyWPJKOIAWYYIZSU-UHFFFAOYSA-N
MW189.24 g/mol
LogP2.78
Rot. Bonds1

About 4-methoxy-1-benzothiophene-7-carbonitrile

4-methoxy-1-benzothiophene-7-carbonitrile (PubChem CID 68709277) has the molecular formula C10H7NOS and a molecular weight of 189.24 g/mol. Its IUPAC name is 4-methoxy-1-benzothiophene-7-carbonitrile.

Molecular Properties

Compound Name4-methoxy-1-benzothiophene-7-carbonitrile
PubChem CID68709277
Molecular FormulaC10H7NOS
Molecular Weight189.24 g/mol
Exact Mass189.02
IUPAC Name4-methoxy-1-benzothiophene-7-carbonitrile
SMILESCOc1ccc(C#N)c2sccc12
InChIInChI=1S/C10H7NOS/c1-12-9-3-2-7(6-11)10-8(9)4-5-13-10/h2-5H,1H3
InChIKeyWPJKOIAWYYIZSU-UHFFFAOYSA-N
XLogP2.78
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-1-benzothiophene-7-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 4-methoxy-1-benzothiophene-7-carbonitrile?
The IUPAC name of 4-methoxy-1-benzothiophene-7-carbonitrile (CID 68709277) is 4-methoxy-1-benzothiophene-7-carbonitrile.
What is the SMILES notation for 4-methoxy-1-benzothiophene-7-carbonitrile?
The canonical SMILES for 4-methoxy-1-benzothiophene-7-carbonitrile is COc1ccc(C#N)c2sccc12.
What is the InChIKey of 4-methoxy-1-benzothiophene-7-carbonitrile?
The InChIKey is WPJKOIAWYYIZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NOS/c1-12-9-3-2-7(6-11)10-8(9)4-5-13-10/h2-5H,1H3.
What are the key properties of 4-methoxy-1-benzothiophene-7-carbonitrile?
4-methoxy-1-benzothiophene-7-carbonitrile has a molecular weight of 189.24 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-benzothiophene-7-carbonitrile is sourced from PubChem (CID 68709277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).