Basic information
- Standard SMILES
CS(=O)(=O)OCCn1c(=NC(=O)C(F)(F)F)sc2cc(OC(F)(F)F)ccc21- InChIKey
GFLAFHQMFZNYRX-UHFFFAOYSA-N- Molecular formula
- C13H10F6N2O5S2
- Average molar mass
- 452.4 g/mol
Names & identifiers
- Preferred name
- 2-(2-Trifluoroacetylimino-6-trifluoromethoxy-3-benzothiazolinyl)ethyl methanesulphonate
- IUPAC
- 2-[2-(2,2,2-trifluoroacetyl)imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethyl methanesulfonate
Names & synonyms
2-(2-trifluoroacetylimino-6-trifluoromethoxy-3-benzothiazolinyl)ethyl methanesulphonate
Database identifiers
- PubChem CID
- 15734864
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 718
Related reactions
2 records
Compound notes
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