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Compound
(2-Ethyl-1,3-thiazol-4-yl)methyl-triphenylphosphanium
HCID
23076589
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCc1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cs1
InChIKey
ALJWYOSRJRSJDI-UHFFFAOYSA-N
Molecular formula
C24H23NPS+
Average molar mass
388.5 g/mol
Monoisotopic mass
388.12888291
Names & identifiers
Preferred name
(2-Ethyl-1,3-thiazol-4-yl)methyl-triphenylphosphanium
IUPAC
(2-ethyl-1,3-thiazol-4-yl)methyl-triphenylphosphanium
Database identifiers
PubChem CID
23076589
Properties
Computed structural properties
XLogP
6
Topological polar surface area
41.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
27
Formal charge
1
Complexity
392
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Related reactions
6 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
106171
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
291464
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
804862
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
1137907
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
1224799
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1546980
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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Compound notes
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