Basic information
- Standard SMILES
CSCc1c(C(F)(F)F)ccc(I)c1N- InChIKey
CAEGHCGDARQRMB-UHFFFAOYSA-N- Molecular formula
- C9H9F3INS
- Average molar mass
- 347.14 g/mol
Names & identifiers
- Preferred name
- 3-Amino-4-iodo-2-methylthiomethylbenzotrifluoride
- IUPAC
- 6-iodo-2-(methylsulfanylmethyl)-3-(trifluoromethyl)aniline
Names & synonyms
3-amino-4-iodo-2-methylthiomethylbenzotrifluorideSCHEMBL11442208
Database identifiers
- PubChem CID
- 20332864
Properties
Computed structural properties
- XLogP
- 3.2
- 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
- 212
Related reactions
2 records
Compound notes
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