Basic information
- CAS
685130-82-9- Standard SMILES
Cc1ccc(N2CN(CCc3ccccc3)CNC2=S)cc1- InChIKey
MGHZFAKRAMXRBC-UHFFFAOYSA-N- Molecular formula
- C18H21N3S
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.14561886
Names & identifiers
- Preferred name
- 1-(4-Methylphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione
- IUPAC
- 1-(4-methylphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione
Names & synonyms
1-(4-methylphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione685130-82-9MLS000769893CHEMBL1508576DTXSID801322287HMS2783K18STL238980AKOS001689426SMR0004346265-Phenethyl-1-p-tolyl-[1,3,5]triazinane-2-thione5-phenethyl-1-(p-tolyl)-1,3,5-triazinane-2-thione
Database identifiers
- CAS
685130-82-9- PubChem CID
- 751676
- DTXSID
DTXSID801322287- ChEMBL
CHEMBL1508576
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 359
Experimental & physicochemical properties
Solubility6.5 [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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