Basic information
- Standard SMILES
CSCc1c(C(F)(F)F)ccc(C)c1N- InChIKey
AIQCQILQEPEBPF-UHFFFAOYSA-N- Molecular formula
- C10H12F3NS
- Average molar mass
- 235.27 g/mol
Names & identifiers
- Preferred name
- 3-Amino-4-methyl-2-methylthiomethylbenzotrifluoride
- IUPAC
- 6-methyl-2-(methylsulfanylmethyl)-3-(trifluoromethyl)aniline
Names & synonyms
3-amino-4-methyl-2-methylthiomethylbenzotrifluorideSCHEMBL11434449
Database identifiers
- PubChem CID
- 20332871
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 207
Related reactions
1 records
Compound notes
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