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5-bromo-3-(piperidin-4-ylthio)-1H-indole

HCID 19936667
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Brc1ccc2[nH]cc(SC3CCNCC3)c2c1
InChIKey
DTHHTDVJDHQWHQ-UHFFFAOYSA-N
Molecular formula
C13H15BrN2S
Average molar mass
311.24 g/mol

Names & identifiers

Preferred name
5-bromo-3-(piperidin-4-ylthio)-1H-indole
IUPAC
5-bromo-3-piperidin-4-ylsulfanyl-1H-indole

Names & synonyms

SCHEMBL9176697DTHHTDVJDHQWHQ-UHFFFAOYSA-N5-bromo-3-(piperidin-4-ylthio)-1H-indole

Database identifiers

PubChem CID
19936667

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
53.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
Formal charge
0
Complexity
258

Related reactions

2 records
New reaction record
HRID 36892 reaction equation
HRID 36892As reactantuspto-grants-1995_05
HRID 110073 reaction equation
HRID 110073As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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