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2-Methyl-4-(2-phenylethenyl)-1,3-thiazole (HCID 69738241)|Huagongshe
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Compound
2-Methyl-4-(2-phenylethenyl)-1,3-thiazole
HCID
69738241
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Compound notes
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Basic information
Standard SMILES
Cc1nc(C=Cc2ccccc2)cs1
InChIKey
BEXFLJHBLOMGSU-UHFFFAOYSA-N
Molecular formula
C12H11NS
Average molar mass
201.29 g/mol
Names & identifiers
Preferred name
2-Methyl-4-(2-phenylethenyl)-1,3-thiazole
IUPAC
2-methyl-4-(2-phenylethenyl)-1,3-thiazole
Names & synonyms
SCHEMBL6312461
Database identifiers
PubChem CID
69738241
Properties
Computed structural properties
XLogP
3.7
Topological polar surface area
41.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
196
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Related reactions
1 records
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As reactant
As product
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As solvent
HRID
168447
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Compound notes
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