7-methoxy-1-benzothiophene-2-carbonitrile

C10H7NOS — CID 13123242

IUPAC7-methoxy-1-benzothiophene-2-carbonitrile
SMILESCOc1cccc2cc(C#N)sc12
InChIInChI=1S/C10H7NOS/c1-12-9-4-2-3-7-5-8(6-11)13-10(7)9/h2-5H,1H3
InChIKeySXNJLXCKMOFGRY-UHFFFAOYSA-N
MW189.24 g/mol
LogP2.78
Rot. Bonds1

About 7-methoxy-1-benzothiophene-2-carbonitrile

7-methoxy-1-benzothiophene-2-carbonitrile (PubChem CID 13123242) has the molecular formula C10H7NOS and a molecular weight of 189.24 g/mol. Its IUPAC name is 7-methoxy-1-benzothiophene-2-carbonitrile.

Molecular Properties

Compound Name7-methoxy-1-benzothiophene-2-carbonitrile
PubChem CID13123242
Molecular FormulaC10H7NOS
Molecular Weight189.24 g/mol
Exact Mass189.02
IUPAC Name7-methoxy-1-benzothiophene-2-carbonitrile
SMILESCOc1cccc2cc(C#N)sc12
InChIInChI=1S/C10H7NOS/c1-12-9-4-2-3-7-5-8(6-11)13-10(7)9/h2-5H,1H3
InChIKeySXNJLXCKMOFGRY-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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-benzothiophene-2-carbonitrile?
The IUPAC name of 7-methoxy-1-benzothiophene-2-carbonitrile (CID 13123242) is 7-methoxy-1-benzothiophene-2-carbonitrile.
What is the SMILES notation for 7-methoxy-1-benzothiophene-2-carbonitrile?
The canonical SMILES for 7-methoxy-1-benzothiophene-2-carbonitrile is COc1cccc2cc(C#N)sc12.
What is the InChIKey of 7-methoxy-1-benzothiophene-2-carbonitrile?
The InChIKey is SXNJLXCKMOFGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NOS/c1-12-9-4-2-3-7-5-8(6-11)13-10(7)9/h2-5H,1H3.
What are the key properties of 7-methoxy-1-benzothiophene-2-carbonitrile?
7-methoxy-1-benzothiophene-2-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 7-methoxy-1-benzothiophene-2-carbonitrile is sourced from PubChem (CID 13123242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).