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N-(4-Chlorobenzylidene)-4-methylthioaniline

HCID 21862850
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CSc1ccc(N=Cc2ccc(Cl)cc2)cc1
InChIKey
RDTTVQAYOFLJJC-UHFFFAOYSA-N
Molecular formula
C14H12ClNS
Average molar mass
261.8 g/mol

Names & identifiers

Preferred name
N-(4-Chlorobenzylidene)-4-methylthioaniline
IUPAC
1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)methanimine

Names & synonyms

SCHEMBL5309642SCHEMBL5309645RDTTVQAYOFLJJC-UHFFFAOYSA-NN-(4-Chlorobenzylidene)-4-methylthioaniline

Database identifiers

PubChem CID
21862850

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
37.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
241

Related reactions

6 records
New reaction record
HRID 92921 reaction equation
HRID 92921As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 702049 reaction equation
HRID 702049As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 856816 reaction equation
HRID 856816As productuspto-grants-2006_12
HRID 856817 reaction equation
HRID 856817As productuspto-grants-2006_12
HRID 1415748 reaction equation
HRID 1415748As productuspto-grants-1999_06
HRID 1415749 reaction equation
HRID 1415749As reactantuspto-grants-1999_06

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes