Thiophene-3-carbonitrile, 5-acetyl-4-(4-chlorophenyl)-2-methylthio-

HCID 627943
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Basic information

Standard SMILES
CSc1sc(C(C)=O)c(-c2ccc(Cl)cc2)c1C#N
InChIKey
DZABTJAQLCLMRM-UHFFFAOYSA-N
Molecular formula
C14H10ClNOS2
Average molar mass
307.8 g/mol

Names & identifiers

Preferred name
Thiophene-3-carbonitrile, 5-acetyl-4-(4-chlorophenyl)-2-methylthio-
IUPAC
5-acetyl-4-(4-chlorophenyl)-2-methylsulfanylthiophene-3-carbonitrile

Names & synonyms

SCHEMBL5756967BRD-K23806271-001-01-85-Acetyl-2-methylsulfanyl-4-(4-chloro-phenyl)-thiophene-3-carbonitrile5-Acetyl-4-(4-chlorophenyl)-2-(methylsulfanyl)-3-thiophenecarbonitrile #Thiophene-3-carbonitrile, 5-acetyl-4-(4-chlorophenyl)-2-methylthio-

Database identifiers

PubChem CID
627943

Properties

Computed structural properties

XLogP
4.4
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
New reaction record

Linked notes

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