4-(2-ethylsulfanylethenyl)benzonitrile

C11H11NS — CID 71427451

IUPAC4-(2-ethylsulfanylethenyl)benzonitrile
SMILESCCSC=Cc1ccc(C#N)cc1
InChIInChI=1S/C11H11NS/c1-2-13-8-7-10-3-5-11(9-12)6-4-10/h3-8H,2H2,1H3
InChIKeyXZBTVFBWCGCWLO-UHFFFAOYSA-N
MW189.28 g/mol
LogP3.28
Rot. Bonds3

About 4-(2-ethylsulfanylethenyl)benzonitrile

4-(2-ethylsulfanylethenyl)benzonitrile (PubChem CID 71427451) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 4-(2-ethylsulfanylethenyl)benzonitrile.

Molecular Properties

Compound Name4-(2-ethylsulfanylethenyl)benzonitrile
PubChem CID71427451
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name4-(2-ethylsulfanylethenyl)benzonitrile
SMILESCCSC=Cc1ccc(C#N)cc1
InChIInChI=1S/C11H11NS/c1-2-13-8-7-10-3-5-11(9-12)6-4-10/h3-8H,2H2,1H3
InChIKeyXZBTVFBWCGCWLO-UHFFFAOYSA-N
XLogP3.28
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-ethylsulfanylethenyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
4-[(E)-pent-1-enyl]benzonitrile
CID 15363946
4-prop-1-enylbenzonitrile
CID 68719840
4-(2-ethoxyethenyl)benzonitrile
CID 131843899
4-[(E)-2-(dimethylamino)ethenyl]benzonitrile
CID 75481575
4-[(Z)-oct-1-enyl]benzonitrile
CID 10632395
4-[2-(4-heptylphenyl)ethenyl]benzonitrile
CID 71383392
4-(ethyliminomethyl)benzonitrile
CID 12927009
S-[3-(4-cyanophenyl)prop-2-enyl] ethanethioate
CID 169456909
4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]benzaldehyde;4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]benzonitrile
CID 158727090
4-[(E)-2-[4-(4-cyanoanilino)phenyl]ethenyl]benzonitrile
CID 101467306
4-[(E)-3-oxobut-1-enyl]benzonitrile
CID 11126721

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylsulfanylethenyl)benzonitrile?
The IUPAC name of 4-(2-ethylsulfanylethenyl)benzonitrile (CID 71427451) is 4-(2-ethylsulfanylethenyl)benzonitrile.
What is the SMILES notation for 4-(2-ethylsulfanylethenyl)benzonitrile?
The canonical SMILES for 4-(2-ethylsulfanylethenyl)benzonitrile is CCSC=Cc1ccc(C#N)cc1.
What is the InChIKey of 4-(2-ethylsulfanylethenyl)benzonitrile?
The InChIKey is XZBTVFBWCGCWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c1-2-13-8-7-10-3-5-11(9-12)6-4-10/h3-8H,2H2,1H3.
What are the key properties of 4-(2-ethylsulfanylethenyl)benzonitrile?
4-(2-ethylsulfanylethenyl)benzonitrile has a molecular weight of 189.28 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylsulfanylethenyl)benzonitrile is sourced from PubChem (CID 71427451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).