ST040479
Basic information
- CAS
405-61-8- Standard SMILES
COc1ccc(NC(=S)Nc2ccc(F)cc2)cc1- InChIKey
RUNCTPYJYOCBIB-UHFFFAOYSA-N- Molecular formula
- C14H13FN2OS
- Average molar mass
- 276.33 g/mol
- Monoisotopic mass
- 276.07326238
Names & identifiers
- Preferred name
- ST040479
- IUPAC
- 1-(4-fluorophenyl)-3-(4-methoxyphenyl)thiourea
Names & synonyms
405-61-8ST040479DTXSID00352632RefChem:381364DTXCID303036971-(4-fluorophenyl)-3-(4-methoxyphenyl)thioureaN-(4-fluorophenyl)-N'-(4-methoxyphenyl)thioureaCHEMBL1504915Thiourea, N-(4-fluorophenyl)-N'-(4-methoxyphenyl)-SR-01000224565Oprea1_838935MLS001204845
Show more names
1-(4-Fluoro-phenyl)-3-(4-methoxy-phenyl)-thioureaHMS2828P16BDBM50659132STK038343AKOS000487811SMR000516275SR-01000224565-1SR-01000224565-2
Database identifiers
- CAS
405-61-8- PubChem CID
- 730479
- DTXSID
DTXSID00352632- ChEMBL
CHEMBL1504915
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 287
Experimental & physicochemical properties
Solubility27.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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