Basic information
- CAS
868216-68-6- Standard SMILES
CS(=O)(=O)N1CCN=C1SCc1cccc(F)c1- InChIKey
XZSHLHYWZKIBHB-UHFFFAOYSA-N- Molecular formula
- C11H13FN2O2S2
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.04024817
Names & identifiers
- Preferred name
- 2-((3-fluorobenzyl)thio)-1-(methylsulfonyl)-4,5-dihydro-1H-imidazole
- IUPAC
- 2-[(3-fluorophenyl)methylsulfanyl]-1-methylsulfonyl-4,5-dihydroimidazole
Names & synonyms
868216-68-62-((3-fluorobenzyl)thio)-1-(methylsulfonyl)-4,5-dihydro-1H-imidazole2-[(3-fluorophenyl)methylsulfanyl]-1-methylsulfonyl-4,5-dihydroimidazole2-{[(3-fluorophenyl)methyl]sulfanyl}-1-methanesulfonyl-4,5-dihydro-1H-imidazoleMLS001167986F1804-0040IFLab1_006454IFLab2_000220CHEMBL1725269DTXSID701333057HMS1430I14HMS2961J08
Show more names
AKOS024609576IDI1_019246SMR000641190VU0489536-1SR-01000015372SR-01000015372-12-{[(3-Fluorophenyl)methyl]sulfanyl}-1-(methanesulfonyl)-4,5-dihydro-1H-imidazole
Database identifiers
- CAS
868216-68-6- PubChem CID
- 2148573
- DTXSID
DTXSID701333057- ChEMBL
CHEMBL1725269
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 419
Experimental & physicochemical properties
Solubility42.6 [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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