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(2-Ethyl-1,3-thiazol-4-yl)methyl-triphenylphosphanium

HCID 23076589
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

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

Related reactions

6 records
New reaction record
HRID 106171 reaction equation
HRID 106171As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 291464 reaction equation
HRID 291464As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 804862 reaction equation
HRID 804862As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1137907 reaction equation
HRID 1137907As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1224799 reaction equation
HRID 1224799As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1546980 reaction equation
HRID 1546980As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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