1H-Imidazole-1-carbothioic acid, O-[1-[([1,1'-BI
Basic information
- CAS
111226-70-1- Standard SMILES
CC(C)(C)C(COc1ccc(-c2ccccc2)cc1)OC(=S)n1ccnc1- InChIKey
ADVKODVZUDUABF-UHFFFAOYSA-N- Molecular formula
- C22H24N2O2S
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.15584919
Names & identifiers
- Preferred name
- 1H-Imidazole-1-carbothioic acid, O-[1-[([1,1'-BI
- IUPAC
- O-[3,3-dimethyl-1-(4-phenylphenoxy)butan-2-yl] imidazole-1-carbothioate
Names & synonyms
DTXSID408753701H-IMIDAZOLE-1-CARBOTHIOIC ACID, O-[1-[([1,1'-BI111226-70-1O-{1-[([1,1'-Biphenyl]-4-yl)oxy]-3,3-dimethylbutan-2-yl} 1H-imidazole-1-carbothioate
Database identifiers
- CAS
111226-70-1- PubChem CID
- 14182003
- DTXSID
DTXSID40875370- Nikkaji
- J1.557.956K
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 465
Experimental & physicochemical properties
LogP6.06
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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