6-ethyl-2-hydroxy-1-benzothiophene-7-carbonitrile

C11H9NOS — CID 131190958

IUPAC6-ethyl-2-hydroxy-1-benzothiophene-7-carbonitrile
SMILESCCc1ccc2cc(O)sc2c1C#N
InChIInChI=1S/C11H9NOS/c1-2-7-3-4-8-5-10(13)14-11(8)9(7)6-12/h3-5,13H,2H2,1H3
InChIKeySUUVDQYRNFXRIW-UHFFFAOYSA-N
MW203.27 g/mol
LogP3.04
Rot. Bonds1

About 6-ethyl-2-hydroxy-1-benzothiophene-7-carbonitrile

6-ethyl-2-hydroxy-1-benzothiophene-7-carbonitrile (PubChem CID 131190958) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 6-ethyl-2-hydroxy-1-benzothiophene-7-carbonitrile.

Molecular Properties

Compound Name6-ethyl-2-hydroxy-1-benzothiophene-7-carbonitrile
PubChem CID131190958
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name6-ethyl-2-hydroxy-1-benzothiophene-7-carbonitrile
SMILESCCc1ccc2cc(O)sc2c1C#N
InChIInChI=1S/C11H9NOS/c1-2-7-3-4-8-5-10(13)14-11(8)9(7)6-12/h3-5,13H,2H2,1H3
InChIKeySUUVDQYRNFXRIW-UHFFFAOYSA-N
XLogP3.04
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-hydroxy-1-benzothiophene-7-carbonitrile?
The IUPAC name of 6-ethyl-2-hydroxy-1-benzothiophene-7-carbonitrile (CID 131190958) is 6-ethyl-2-hydroxy-1-benzothiophene-7-carbonitrile.
What is the SMILES notation for 6-ethyl-2-hydroxy-1-benzothiophene-7-carbonitrile?
The canonical SMILES for 6-ethyl-2-hydroxy-1-benzothiophene-7-carbonitrile is CCc1ccc2cc(O)sc2c1C#N.
What is the InChIKey of 6-ethyl-2-hydroxy-1-benzothiophene-7-carbonitrile?
The InChIKey is SUUVDQYRNFXRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c1-2-7-3-4-8-5-10(13)14-11(8)9(7)6-12/h3-5,13H,2H2,1H3.
What are the key properties of 6-ethyl-2-hydroxy-1-benzothiophene-7-carbonitrile?
6-ethyl-2-hydroxy-1-benzothiophene-7-carbonitrile has a molecular weight of 203.27 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-hydroxy-1-benzothiophene-7-carbonitrile is sourced from PubChem (CID 131190958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).