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N-(5-fluoro-2-biphenylyl)thiourea (HCID 19089310)|Huagongshe
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Compound
N-(5-fluoro-2-biphenylyl)thiourea
HCID
19089310
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Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
NC(=S)Nc1ccc(F)cc1-c1ccccc1
InChIKey
TUNAMLXPXJSUBI-UHFFFAOYSA-N
Molecular formula
C13H11FN2S
Average molar mass
246.31 g/mol
Names & identifiers
Preferred name
N-(5-fluoro-2-biphenylyl)thiourea
IUPAC
(4-fluoro-2-phenylphenyl)thiourea
Names & synonyms
SCHEMBL9312892
TUNAMLXPXJSUBI-UHFFFAOYSA-N
N-(5-fluoro-2-biphenylyl)thiourea
Database identifiers
PubChem CID
19089310
Properties
Computed structural properties
XLogP
2.9
Topological polar surface area
70.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
Formal charge
0
Complexity
266
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Related reactions
4 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
117322
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
157738
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
1464077
As product
uspto-grants-1994_04
HRID
1464078
As reactant
uspto-grants-1994_04
Compound notes
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