2-fluoro-5-(thiophen-2-ylsulfanylmethyl)benzonitrile

C12H8FNS2 — CID 103758883

IUPAC2-fluoro-5-(thiophen-2-ylsulfanylmethyl)benzonitrile
SMILESN#Cc1cc(CSc2cccs2)ccc1F
InChIInChI=1S/C12H8FNS2/c13-11-4-3-9(6-10(11)7-14)8-16-12-2-1-5-15-12/h1-6H,8H2
InChIKeyGAGAAYAUECTWCC-UHFFFAOYSA-N
MW249.34 g/mol
LogP4.05
Rot. Bonds3

About 2-fluoro-5-(thiophen-2-ylsulfanylmethyl)benzonitrile

2-fluoro-5-(thiophen-2-ylsulfanylmethyl)benzonitrile (PubChem CID 103758883) has the molecular formula C12H8FNS2 and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-fluoro-5-(thiophen-2-ylsulfanylmethyl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-(thiophen-2-ylsulfanylmethyl)benzonitrile
PubChem CID103758883
Molecular FormulaC12H8FNS2
Molecular Weight249.34 g/mol
Exact Mass249.01
IUPAC Name2-fluoro-5-(thiophen-2-ylsulfanylmethyl)benzonitrile
SMILESN#Cc1cc(CSc2cccs2)ccc1F
InChIInChI=1S/C12H8FNS2/c13-11-4-3-9(6-10(11)7-14)8-16-12-2-1-5-15-12/h1-6H,8H2
InChIKeyGAGAAYAUECTWCC-UHFFFAOYSA-N
XLogP4.05
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-5-(thiophen-2-ylsulfanylmethyl)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

2-fluoro-5-(1,3-thiazol-2-ylsulfanylmethyl)benzonitrile
CID 103758889
2-fluoro-5-(phenylsulfanylmethyl)benzonitrile
CID 103758773
2-fluoro-5-[(2-fluorophenyl)sulfanylmethyl]benzonitrile
CID 103758746
2-fluoro-5-[(2-hydroxyphenyl)sulfanylmethyl]benzonitrile
CID 103758898
2-fluoro-5-[[3-(hydroxymethyl)phenyl]sulfanylmethyl]benzonitrile
CID 107887986
5-[[3-(aminomethyl)phenyl]sulfanylmethyl]-2-fluorobenzonitrile
CID 107887946
5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-fluorobenzonitrile
CID 107882341
5-(tert-butylsulfanylmethyl)-2-fluorobenzonitrile
CID 103758835
2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile
CID 103758567
2-fluoro-5-[[4-(1-hydroxyethyl)phenyl]sulfanylmethyl]benzonitrile
CID 107887977
2-fluoro-5-(2-hydroxyethyl)benzonitrile
CID 83390737
5-(3-aminopropylsulfanylmethyl)-2-fluorobenzonitrile
CID 107881810

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(thiophen-2-ylsulfanylmethyl)benzonitrile?
The IUPAC name of 2-fluoro-5-(thiophen-2-ylsulfanylmethyl)benzonitrile (CID 103758883) is 2-fluoro-5-(thiophen-2-ylsulfanylmethyl)benzonitrile.
What is the SMILES notation for 2-fluoro-5-(thiophen-2-ylsulfanylmethyl)benzonitrile?
The canonical SMILES for 2-fluoro-5-(thiophen-2-ylsulfanylmethyl)benzonitrile is N#Cc1cc(CSc2cccs2)ccc1F.
What is the InChIKey of 2-fluoro-5-(thiophen-2-ylsulfanylmethyl)benzonitrile?
The InChIKey is GAGAAYAUECTWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNS2/c13-11-4-3-9(6-10(11)7-14)8-16-12-2-1-5-15-12/h1-6H,8H2.
What are the key properties of 2-fluoro-5-(thiophen-2-ylsulfanylmethyl)benzonitrile?
2-fluoro-5-(thiophen-2-ylsulfanylmethyl)benzonitrile has a molecular weight of 249.34 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(thiophen-2-ylsulfanylmethyl)benzonitrile is sourced from PubChem (CID 103758883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).