Basic information
- Standard SMILES
CCSc1ccc(C(F)(F)F)c(SC)c1N- InChIKey
DJDOCRZRGLABFS-UHFFFAOYSA-N- Molecular formula
- C10H12F3NS2
- Average molar mass
- 267.3 g/mol
Names & identifiers
- Preferred name
- 3-Amino-4-ethylthio-2-methylthiobenzotrifluoride
- IUPAC
- 6-ethylsulfanyl-2-methylsulfanyl-3-(trifluoromethyl)aniline
Names & synonyms
3-amino-4-ethylthio-2-methylthiobenzotrifluorideSCHEMBL11440378
Database identifiers
- PubChem CID
- 20332865
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
Related reactions
2 records
Compound notes
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