Basic information
- Standard SMILES
FC(F)(F)c1ccc2sc(S)nc2c1- InChIKey
DJRUWESABPZMRB-UHFFFAOYSA-N- Molecular formula
- C8H4F3NS2
- Average molar mass
- 235.3 g/mol
- Monoisotopic mass
- 234.97372597
Names & identifiers
- IUPAC
- 5-(trifluoromethyl)-1,3-benzothiazole-2-thiol
Database identifiers
- PubChem CID
- 616624
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
Related reactions
36 records
Linked notes
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