4-(3'-Phenyl-propylthio)-aniline

HCID 21481844
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Basic information

Standard SMILES
Nc1ccc(SCCCc2ccccc2)cc1
InChIKey
DEFDSZDROBHEGN-UHFFFAOYSA-N
Molecular formula
C15H17NS
Average molar mass
243.4 g/mol
Monoisotopic mass
243.10817072

Names & identifiers

Preferred name
4-(3'-Phenyl-propylthio)-aniline
IUPAC
4-(3-phenylpropylsulfanyl)aniline

Names & synonyms

SCHEMBL11705911DEFDSZDROBHEGN-UHFFFAOYSA-N4-(3'-phenyl-propylthio)-aniline

Database identifiers

PubChem CID
21481844

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
51.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
17

Related reactions

3 records
New reaction record

Compound notes

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