Basic information
- Standard SMILES
N=c1sc2cc(OC(F)(F)F)ccc2n1CCO- InChIKey
SODICPUNWKPVDQ-UHFFFAOYSA-N- Molecular formula
- C10H9F3N2O2S
- Average molar mass
- 278.25 g/mol
Names & identifiers
- Preferred name
- 3-(2-Hydroxyethyl)-2-imino-6-trifluoromethoxybenzothiazoline
- IUPAC
- 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanol
Names & synonyms
3-(2-Hydroxyethyl)-2-imino-6-trifluoromethoxybenzothiazolineCHEMBL317994SCHEMBL94228992-(2-Imino-6-trifluoromethoxy-3-benzothiazolinyl)ethanol
Database identifiers
- PubChem CID
- 3076252
- ChEMBL
CHEMBL317994
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 327
Related reactions
5 records
Compound notes
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