Basic information
- CAS
4225-10-9- Standard SMILES
FC(F)(F)Cc1nc2ccccc2s1- InChIKey
CGLQZTJGDKBJEW-UHFFFAOYSA-N- Molecular formula
- C9H6F3NS
- Average molar mass
- 217.21 g/mol
- Monoisotopic mass
- 217.01730486
Names & identifiers
- Preferred name
- 2-(2,2,2-Trifluoroethyl)-1,3-benzothiazole
- IUPAC
- 2-(2,2,2-trifluoroethyl)-1,3-benzothiazole
- English name
- Benzothiazole, 2-(2,2,2-trifluoroethyl)- (7CI,8CI)
- Molecular formula
- C9H6F3NS
- Molecular weight
- 217.2108496
Names & synonyms
2-(2,2,2-trifluoroethyl)-1,3-benzothiazole4225-10-9Enamine_002821DTXSID70351814HMS1402A05AKOS001032533Benzothiazole, 2-(2,2,2-trifluoroethyl)- (7CI,8CI)
Database identifiers
- CAS
4225-10-9- PubChem CID
- 710591
- DTXSID
DTXSID70351814
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 207
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…