Basic information
- CAS
301307-89-1- Standard SMILES
Cc1ccc(SC2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1- InChIKey
AISHFLRCJDHOBO-UHFFFAOYSA-N- Molecular formula
- C18H14F3NO2S
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.06973435
Names & identifiers
- Preferred name
- 3-[(4-Methylphenyl)thio]-1-[2-(trifluoromethyl)phenyl]-2,5-pyrrolidinedione
- IUPAC
- 3-(4-methylphenyl)sulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
- English name
- 3-(p-tolylthio)-1-(2-(trifluoromethyl)phenyl)pyrrolidine-2,5-dione
- Molecular formula
- C18H14F3NO2S
- Molecular weight
- 365.37
Names & synonyms
301307-89-13-[(4-methylphenyl)thio]-1-[2-(trifluoromethyl)phenyl]-2,5-pyrrolidinedione3-((4-Methylphenyl)thio)-1-(2-(trifluoromethyl)phenyl)-2,5-pyrrolidinedioneRefChem:2729873-[(4-methylphenyl)sulfanyl]-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione3-(p-tolylthio)-1-(2-(trifluoromethyl)phenyl)pyrrolidine-2,5-dioneCBMicro_027297AISHFLRCJDHOBO-UHFFFAOYSA-NDTXSID801143722STK392222AKOS002254020AKOS016317529
Show more names
2,5-Pyrrolidinedione, 3-[(4-methylphenyl)thio]-1-[2-(trifluoromethyl)phenyl]-
3-(4-methylphenyl)sulfanyl-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dioneBIM-0027229.P001ST50453569F0222-00133-(4-methylphenylthio)-1-[2-(trifluoromethyl)phenyl]azolidine-2,5-dione3-[(4-Methylphenyl)sulfanyl]-1-[2-(trifluoromethyl)phenyl]-2,5-pyrrolidinedione #
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 517
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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