1-(2-Ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea
Basic information
- CAS
502885-84-9- Standard SMILES
CCOc1ccccc1NC(=S)NCCCn1ccnc1- InChIKey
MGNWZPAIBLPCGQ-UHFFFAOYSA-N- Molecular formula
- C15H20N4OS
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.13578245
Names & identifiers
- Preferred name
- 1-(2-Ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea
- IUPAC
- 1-(2-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea
Names & synonyms
1-(2-ethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thioureaMLS001033199CHEMBL1324919DTXSID201323718HMS2695I04AKOS001049093502885-84-9SMR000363666SR-01000048817SR-01000048817-1Z45806665N-(2-Ethoxyphenyl)-N'-[3-(1H-imidazol-1-yl)propyl]thiourea
Database identifiers
- CAS
502885-84-9- PubChem CID
- 4032222
- DTXSID
DTXSID201323718- ChEMBL
CHEMBL1324919
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 316
Experimental & physicochemical properties
Solubility42.1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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