5-Acetyl-2-methylsulfanyl-4-(4-methyl-phenyl)-thiophene-3-carbonitrile

HCID 22019029
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Basic information

Standard SMILES
CSc1sc(C(C)=O)c(-c2ccc(C)cc2)c1C#N
InChIKey
FRKMGSKRNZVTCM-UHFFFAOYSA-N
Molecular formula
C15H13NOS2
Average molar mass
287.4 g/mol

Names & identifiers

Preferred name
5-Acetyl-2-methylsulfanyl-4-(4-methyl-phenyl)-thiophene-3-carbonitrile
IUPAC
5-acetyl-4-(4-methylphenyl)-2-methylsulfanylthiophene-3-carbonitrile

Names & synonyms

SCHEMBL5758052FRKMGSKRNZVTCM-UHFFFAOYSA-N5-Acetyl-2-methylsulfanyl-4-(4-methyl-phenyl)-thiophene-3-carbonitrile

Database identifiers

PubChem CID
22019029

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
94.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
19

Related reactions

2 records
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Compound notes

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