5-Acetyl-4-cyclohexyl-2-methylsulfanyl-thiophene-3-carbonitrile

HCID 22019043
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Basic information

Standard SMILES
CSc1sc(C(C)=O)c(C2CCCCC2)c1C#N
InChIKey
HLDIICZXFBNJBG-UHFFFAOYSA-N
Molecular formula
C14H17NOS2
Average molar mass
279.4 g/mol

Names & identifiers

Preferred name
5-Acetyl-4-cyclohexyl-2-methylsulfanyl-thiophene-3-carbonitrile
IUPAC
5-acetyl-4-cyclohexyl-2-methylsulfanylthiophene-3-carbonitrile

Names & synonyms

SCHEMBL5757897HLDIICZXFBNJBG-UHFFFAOYSA-N5-Acetyl-4-cyclohexyl-2-methylsulfanyl-thiophene-3-carbonitrile

Database identifiers

PubChem CID
22019043

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
94.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
18

Related reactions

2 records
New reaction record

Compound notes

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