Basic information
- CAS
111226-67-6- Standard SMILES
CCCc1ccc(OCC(OC(=S)n2ccnc2)C(C)(C)C)cc1- InChIKey
ULFWVZRPLATENB-UHFFFAOYSA-N- Molecular formula
- C19H26N2O2S
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.17149925
Names & identifiers
- Preferred name
- 1H-Imidazole-1-carbothioic acid, O-[1-[(4-propyl
- IUPAC
- O-[3,3-dimethyl-1-(4-propylphenoxy)butan-2-yl] imidazole-1-carbothioate
Names & synonyms
1H-IMIDAZOLE-1-CARBOTHIOIC ACID, O-[1-[(4-PROPYLDTXSID60875170111226-67-6O-[3,3-Dimethyl-1-(4-propylphenoxy)butan-2-yl] 1H-imidazole-1-carbothioate
Database identifiers
- CAS
111226-67-6- PubChem CID
- 14182000
- DTXSID
DTXSID60875170- Nikkaji
- J1.557.934J
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 389
Experimental & physicochemical properties
LogP5.77
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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