4-ethyl-1-benzothiophene-5-carbonitrile

C11H9NS — CID 130064613

IUPAC4-ethyl-1-benzothiophene-5-carbonitrile
SMILESCCc1c(C#N)ccc2sccc12
InChIInChI=1S/C11H9NS/c1-2-9-8(7-12)3-4-11-10(9)5-6-13-11/h3-6H,2H2,1H3
InChIKeyWOSVNIDRAASYME-UHFFFAOYSA-N
MW187.27 g/mol
LogP3.34
Rot. Bonds1

About 4-ethyl-1-benzothiophene-5-carbonitrile

4-ethyl-1-benzothiophene-5-carbonitrile (PubChem CID 130064613) has the molecular formula C11H9NS and a molecular weight of 187.27 g/mol. Its IUPAC name is 4-ethyl-1-benzothiophene-5-carbonitrile.

Molecular Properties

Compound Name4-ethyl-1-benzothiophene-5-carbonitrile
PubChem CID130064613
Molecular FormulaC11H9NS
Molecular Weight187.27 g/mol
Exact Mass187.05
IUPAC Name4-ethyl-1-benzothiophene-5-carbonitrile
SMILESCCc1c(C#N)ccc2sccc12
InChIInChI=1S/C11H9NS/c1-2-9-8(7-12)3-4-11-10(9)5-6-13-11/h3-6H,2H2,1H3
InChIKeyWOSVNIDRAASYME-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

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Related Compounds

4-ethyl-5-fluoro-1-benzothiophene
CID 130064581
7-ethyl-1-benzothiophene-6-carbonitrile
CID 130064616
2,3,4-triethylbenzonitrile
CID 22750758
(5-ethyl-6-sulfanyl-1-benzothiophen-4-yl)methanol
CID 131001484
5-bromo-4-ethyl-1-benzothiophene-3-carbonitrile
CID 130788679
thieno[2,3-c]pyridine-4-carbonitrile
CID 130119654
7-methyl-1-benzothiophene-4-carbonitrile
CID 129152036
7-ethyl-4-iodo-1-benzothiophene-5-carbonitrile
CID 130985730
4-ethyl-6-iodo-1-benzothiophen-5-amine
CID 130866246
4-(bromomethyl)-5-ethyl-6-methyl-1-benzothiophene
CID 130956540
5-ethyl-6-sulfanyl-1-benzothiophen-4-ol
CID 131014676
5-bromo-6-chloro-4-ethyl-1-benzothiophene
CID 130885317

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-benzothiophene-5-carbonitrile?
The IUPAC name of 4-ethyl-1-benzothiophene-5-carbonitrile (CID 130064613) is 4-ethyl-1-benzothiophene-5-carbonitrile.
What is the SMILES notation for 4-ethyl-1-benzothiophene-5-carbonitrile?
The canonical SMILES for 4-ethyl-1-benzothiophene-5-carbonitrile is CCc1c(C#N)ccc2sccc12.
What is the InChIKey of 4-ethyl-1-benzothiophene-5-carbonitrile?
The InChIKey is WOSVNIDRAASYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NS/c1-2-9-8(7-12)3-4-11-10(9)5-6-13-11/h3-6H,2H2,1H3.
What are the key properties of 4-ethyl-1-benzothiophene-5-carbonitrile?
4-ethyl-1-benzothiophene-5-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 4-ethyl-1-benzothiophene-5-carbonitrile is sourced from PubChem (CID 130064613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).