2-ethyl-6-hydroxy-1-benzothiophene-5-carbonitrile

C11H9NOS — CID 130877320

IUPAC2-ethyl-6-hydroxy-1-benzothiophene-5-carbonitrile
SMILESCCc1cc2cc(C#N)c(O)cc2s1
InChIInChI=1S/C11H9NOS/c1-2-9-4-7-3-8(6-12)10(13)5-11(7)14-9/h3-5,13H,2H2,1H3
InChIKeyPNRAYXTYRAVEGN-UHFFFAOYSA-N
MW203.27 g/mol
LogP3.04
Rot. Bonds1

About 2-ethyl-6-hydroxy-1-benzothiophene-5-carbonitrile

2-ethyl-6-hydroxy-1-benzothiophene-5-carbonitrile (PubChem CID 130877320) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-ethyl-6-hydroxy-1-benzothiophene-5-carbonitrile.

Molecular Properties

Compound Name2-ethyl-6-hydroxy-1-benzothiophene-5-carbonitrile
PubChem CID130877320
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name2-ethyl-6-hydroxy-1-benzothiophene-5-carbonitrile
SMILESCCc1cc2cc(C#N)c(O)cc2s1
InChIInChI=1S/C11H9NOS/c1-2-9-4-7-3-8(6-12)10(13)5-11(7)14-9/h3-5,13H,2H2,1H3
InChIKeyPNRAYXTYRAVEGN-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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Related Compounds

2,5-dihydroxy-1-benzothiophene-6-carbonitrile
CID 130961153
2-(hydroxymethyl)-6-sulfanyl-1-benzothiophene-5-carbonitrile
CID 130926407
2-hydroxy-1-benzothiophene-5,6-dicarbonitrile
CID 130816987
2-ethyl-5-sulfanyl-1-benzothiophene-7-carbonitrile
CID 130898665
2-(bromomethyl)-5-methyl-1-benzothiophene-6-carbonitrile
CID 131034293
2-(chloromethyl)-6-ethyl-1-benzothiophen-5-ol
CID 130969973
2,6-diethyl-1-benzothiophen-5-amine
CID 130914459
2-ethyl-5-iodo-1-benzothiophene-6-thiol
CID 130961893
6-chloro-2-ethyl-1-benzothiophen-5-amine
CID 130805171
5-acetyl-4-ethyl-2-hydroxybenzonitrile
CID 131349259
5-(bromomethyl)-6-chloro-2-ethyl-1-benzothiophene
CID 131014328
5-(bromomethyl)-6-hydroxy-1-benzothiophene-2-carbonitrile
CID 131096686

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-hydroxy-1-benzothiophene-5-carbonitrile?
The IUPAC name of 2-ethyl-6-hydroxy-1-benzothiophene-5-carbonitrile (CID 130877320) is 2-ethyl-6-hydroxy-1-benzothiophene-5-carbonitrile.
What is the SMILES notation for 2-ethyl-6-hydroxy-1-benzothiophene-5-carbonitrile?
The canonical SMILES for 2-ethyl-6-hydroxy-1-benzothiophene-5-carbonitrile is CCc1cc2cc(C#N)c(O)cc2s1.
What is the InChIKey of 2-ethyl-6-hydroxy-1-benzothiophene-5-carbonitrile?
The InChIKey is PNRAYXTYRAVEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c1-2-9-4-7-3-8(6-12)10(13)5-11(7)14-9/h3-5,13H,2H2,1H3.
What are the key properties of 2-ethyl-6-hydroxy-1-benzothiophene-5-carbonitrile?
2-ethyl-6-hydroxy-1-benzothiophene-5-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 2-ethyl-6-hydroxy-1-benzothiophene-5-carbonitrile is sourced from PubChem (CID 130877320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).