Basic information
- CAS
667908-54-5- Standard SMILES
Fc1ccc(N2CN(CCc3ccccc3)CNC2=S)cc1- InChIKey
QGHYCOWLQIHFLU-UHFFFAOYSA-N- Molecular formula
- C17H18FN3S
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.12054692
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione
- IUPAC
- 1-(4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione
- English name
- 1-(4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione
- Molecular formula
- C17H18FN3S
- Molecular weight
- 315.41
Names & synonyms
1-(4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione667908-54-5AQ-090/417290401-(4-fluorophenyl)-5-phenethyl-1,3,5-triazinane-2-thioneSTL168759AKOS001689427ST0702271-(4-fluorophenyl)-5-(2-phenylethyl)-1,3,5-triazaperhydroine-2-thione1,3,5-Triazine-2(1H)-thione, 1-(4-fluorophenyl)tetrahydro-5-(2-phenylethyl)-
Database identifiers
- CAS
667908-54-5- PubChem CID
- 751677
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Boiling point
- 435.4 · 435.4±55.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 14.47 · 14.47±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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