Basic information
- Standard SMILES
CCOC(=O)C1=Cc2cc(C)ccc2SC1C(F)(F)F- InChIKey
URHXCHXAASOXOG-UHFFFAOYSA-N- Molecular formula
- C14H13F3O2S
- Average molar mass
- 302.31 g/mol
- Monoisotopic mass
- 302.05883531
Names & identifiers
- Preferred name
- ethyl 6-methyl-2-(trifluoromethyl)-2H-1-benzothiopyran-3-carboxylate
- IUPAC
- ethyl 6-methyl-2-(trifluoromethyl)-2H-thiochromene-3-carboxylate
Names & synonyms
ethyl 6-methyl-2-(trifluoromethyl)-2H-1-benzothiopyran-3-carboxylateSCHEMBL6093824
Database identifiers
- PubChem CID
- 21883614
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 406
Related reactions
16 records
Compound notes
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