Basic information
- Standard SMILES
CCOC=Nc1c(SC(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl- InChIKey
MVFTYNNDGJXVPG-UHFFFAOYSA-N- Molecular formula
- C15H8Cl2F6N4OS
- Average molar mass
- 477.2 g/mol
- Monoisotopic mass
- 475.9700064
Names & identifiers
- Preferred name
- 3-Cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-5-ethoxymethyleneamino-4-trifluoromethylthiopyrazole
- IUPAC
- ethyl N-[3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)pyrazol-5-yl]methanimidate
Names & synonyms
3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-5-ethoxymethyleneamino-4-trifluoromethylthiopyrazoleSCHEMBL3817873SCHEMBL38178803-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-5-ethoxymethylideneamino-4-trifluoromethylthiopyrazole
Database identifiers
- PubChem CID
- 54093093
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 631
Related reactions
12 records
Compound notes
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