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6-Bromomethyl-2-cyclohexyl-benzothiazole

HCID 57656406
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
BrCc1ccc2nc(C3CCCCC3)sc2c1
InChIKey
LLCYPOJMZSCLKY-UHFFFAOYSA-N
Molecular formula
C14H16BrNS
Average molar mass
310.25 g/mol

Names & identifiers

Preferred name
6-Bromomethyl-2-cyclohexyl-benzothiazole
IUPAC
6-(bromomethyl)-2-cyclohexyl-1,3-benzothiazole

Names & synonyms

SCHEMBL507522LLCYPOJMZSCLKY-UHFFFAOYSA-N6-bromomethyl-2-cyclohexyl-benzothiazole

Database identifiers

PubChem CID
57656406

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
41.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
Formal charge
0
Complexity
255

Related reactions

5 records
New reaction record
HRID 699306 reaction equation
HRID 699306As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 911327 reaction equation
HRID 911327As productuspto-grants-2011_09
HRID 911396 reaction equation
HRID 911396As reactantuspto-grants-2011_09
HRID 2041215 reaction equation
HRID 2041215As productuspto-grants-2013_11
HRID 2041282 reaction equation
HRID 2041282As reactantuspto-grants-2013_11

Compound notes

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