4-(3-chlorophenyl)-2-methylsulfanylthiophene-3-carbonitrile

C12H8ClNS2 — CID 622189

IUPAC4-(3-chlorophenyl)-2-methylsulfanylthiophene-3-carbonitrile
SMILESCSc1scc(-c2cccc(Cl)c2)c1C#N
InChIInChI=1S/C12H8ClNS2/c1-15-12-10(6-14)11(7-16-12)8-3-2-4-9(13)5-8/h2-5,7H,1H3
InChIKeyFQLYNEJYLHDKLN-UHFFFAOYSA-N
MW265.79 g/mol
LogP4.66
Rot. Bonds2

About 4-(3-chlorophenyl)-2-methylsulfanylthiophene-3-carbonitrile

4-(3-chlorophenyl)-2-methylsulfanylthiophene-3-carbonitrile (PubChem CID 622189) has the molecular formula C12H8ClNS2 and a molecular weight of 265.79 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-methylsulfanylthiophene-3-carbonitrile.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-methylsulfanylthiophene-3-carbonitrile
PubChem CID622189
Molecular FormulaC12H8ClNS2
Molecular Weight265.79 g/mol
Exact Mass264.98
IUPAC Name4-(3-chlorophenyl)-2-methylsulfanylthiophene-3-carbonitrile
SMILESCSc1scc(-c2cccc(Cl)c2)c1C#N
InChIInChI=1S/C12H8ClNS2/c1-15-12-10(6-14)11(7-16-12)8-3-2-4-9(13)5-8/h2-5,7H,1H3
InChIKeyFQLYNEJYLHDKLN-UHFFFAOYSA-N
XLogP4.66
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-chlorophenyl)-2-methylsulfanylthiophene-3-carbonitrile 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 4-(3-chlorophenyl)-2-methylsulfanylthiophene-3-carbonitrile?
The IUPAC name of 4-(3-chlorophenyl)-2-methylsulfanylthiophene-3-carbonitrile (CID 622189) is 4-(3-chlorophenyl)-2-methylsulfanylthiophene-3-carbonitrile.
What is the SMILES notation for 4-(3-chlorophenyl)-2-methylsulfanylthiophene-3-carbonitrile?
The canonical SMILES for 4-(3-chlorophenyl)-2-methylsulfanylthiophene-3-carbonitrile is CSc1scc(-c2cccc(Cl)c2)c1C#N.
What is the InChIKey of 4-(3-chlorophenyl)-2-methylsulfanylthiophene-3-carbonitrile?
The InChIKey is FQLYNEJYLHDKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNS2/c1-15-12-10(6-14)11(7-16-12)8-3-2-4-9(13)5-8/h2-5,7H,1H3.
What are the key properties of 4-(3-chlorophenyl)-2-methylsulfanylthiophene-3-carbonitrile?
4-(3-chlorophenyl)-2-methylsulfanylthiophene-3-carbonitrile has a molecular weight of 265.79 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-methylsulfanylthiophene-3-carbonitrile is sourced from PubChem (CID 622189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).