1-(4-Fluorophenyl)-3-(3-methoxyphenyl)thiourea

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Basic information

CAS: 1994-41-8
Standard SMILES: COc1cccc(NC(=S)Nc2ccc(F)cc2)c1
InChIKey: GHSABYPLKMNQKJ-UHFFFAOYSA-N
Molecular formula: C14H13FN2OS
Average molar mass: 276.33 g/mol
Monoisotopic mass: 276.07326238

Names & identifiers

Preferred name: 1-(4-Fluorophenyl)-3-(3-methoxyphenyl)thiourea
IUPAC: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)thiourea

Names & synonyms

1-(4-fluorophenyl)-3-(3-methoxyphenyl)thioureaN-(4-fluorophenyl)-N'-(3-methoxyphenyl)thiourea1994-41-8Oprea1_718210MLS0012049651-(4-Fluoro-phenyl)-3-(3-methoxy-phenyl)-thioureaCHEMBL1333348DTXSID501326173HMS2819M20STK000296AKOS000487803SMR000516285

Show more names

UPCMLD0ENAT0510-3963:001SR-01000493629SR-01000493629-1Z45797081

Database identifiers

CAS: 1994-41-8
PubChem CID: 773608
DTXSID: DTXSID501326173
ChEMBL: CHEMBL1333348

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 65.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 295

Experimental & physicochemical properties

Solubility28.7 [ug/mL] (The mean of the results at pH 7.4)

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Compound notes

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