Basic information
- Standard SMILES
N#Cc1cccc(C(F)(F)F)c1Sc1ccc(C(F)(F)F)cc1N- InChIKey
PAARFHANDHOQKU-UHFFFAOYSA-N- Molecular formula
- C15H8F6N2S
- Average molar mass
- 362.29 g/mol
Names & identifiers
- Preferred name
- 2-(2-Amino-4-trifluoromethylphenylthio)-3-trifluoromethylbenzonitrile
- IUPAC
- 2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-3-(trifluoromethyl)benzonitrile
Names & synonyms
2-(2-Amino-4-trifluoromethylphenylthio)-3-trifluoromethylbenzonitrileSCHEMBL88795512-(2-Amino-4-trifluoromethylphenylthio)-3-trifluoro methylbenzonitrile
Database identifiers
- PubChem CID
- 19969436
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 483
Related reactions
5 records
Compound notes
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