Basic information
- CAS
678167-72-1- Standard SMILES
CCc1ccc(N2CN(CCc3ccccc3)CNC2=S)cc1- InChIKey
LGRTWEQMDUSWTN-UHFFFAOYSA-N- Molecular formula
- C19H23N3S
- Average molar mass
- 325.5 g/mol
- Monoisotopic mass
- 325.16126892
Names & identifiers
- Preferred name
- 1-(4-Ethylphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione
- IUPAC
- 1-(4-ethylphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione
Names & synonyms
1-(4-ethylphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione678167-72-11-(4-ethylphenyl)-5-phenethyl-1,3,5-triazinane-2-thioneMLS000769865CHEMBL1531312DTXSID801323316HMS1615L16HMS2788K13STL168762AKOS001689512SMR000434598EU-0015673
Show more names
1-(4-Ethyl-phenyl)-5-phenethyl-[1,3,5]triazinane-2-thione
Database identifiers
- CAS
678167-72-1- PubChem CID
- 751678
- DTXSID
DTXSID801323316- ChEMBL
CHEMBL1531312
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 373
Experimental & physicochemical properties
Solubility1.6 [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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