2-ethyl-2,3-dihydrothiophene-4,5-dicarbonitrile

C8H8N2S — CID 70653477

IUPAC2-ethyl-2,3-dihydrothiophene-4,5-dicarbonitrile
SMILESCCC1CC(C#N)=C(C#N)S1
InChIInChI=1S/C8H8N2S/c1-2-7-3-6(4-9)8(5-10)11-7/h7H,2-3H2,1H3
InChIKeyAZRAQAFWJOMIEQ-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.20
Rot. Bonds1

About 2-ethyl-2,3-dihydrothiophene-4,5-dicarbonitrile

2-ethyl-2,3-dihydrothiophene-4,5-dicarbonitrile (PubChem CID 70653477) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-ethyl-2,3-dihydrothiophene-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-ethyl-2,3-dihydrothiophene-4,5-dicarbonitrile
PubChem CID70653477
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name2-ethyl-2,3-dihydrothiophene-4,5-dicarbonitrile
SMILESCCC1CC(C#N)=C(C#N)S1
InChIInChI=1S/C8H8N2S/c1-2-7-3-6(4-9)8(5-10)11-7/h7H,2-3H2,1H3
InChIKeyAZRAQAFWJOMIEQ-UHFFFAOYSA-N
XLogP2.20
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2,3-dihydrothiophene-4,5-dicarbonitrile 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 2-ethyl-2,3-dihydrothiophene-4,5-dicarbonitrile?
The IUPAC name of 2-ethyl-2,3-dihydrothiophene-4,5-dicarbonitrile (CID 70653477) is 2-ethyl-2,3-dihydrothiophene-4,5-dicarbonitrile.
What is the SMILES notation for 2-ethyl-2,3-dihydrothiophene-4,5-dicarbonitrile?
The canonical SMILES for 2-ethyl-2,3-dihydrothiophene-4,5-dicarbonitrile is CCC1CC(C#N)=C(C#N)S1.
What is the InChIKey of 2-ethyl-2,3-dihydrothiophene-4,5-dicarbonitrile?
The InChIKey is AZRAQAFWJOMIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-2-7-3-6(4-9)8(5-10)11-7/h7H,2-3H2,1H3.
What are the key properties of 2-ethyl-2,3-dihydrothiophene-4,5-dicarbonitrile?
2-ethyl-2,3-dihydrothiophene-4,5-dicarbonitrile has a molecular weight of 164.23 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3-dihydrothiophene-4,5-dicarbonitrile is sourced from PubChem (CID 70653477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).