Basic information
- CAS
61906-65-8- Standard SMILES
O=C(Nc1nc2ccccc2s1)C(F)(F)F- InChIKey
OJYXDRRHLBMRII-UHFFFAOYSA-N- Molecular formula
- C9H5F3N2OS
- Average molar mass
- 246.21 g/mol
- Monoisotopic mass
- 246.00746845
Names & identifiers
- Preferred name
- Acetamide, N-2-benzothiazolyl-2,2,2-trifluoro-
- IUPAC
- N-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
Names & synonyms
61906-65-8Acetamide, N-2-benzothiazolyl-2,2,2-trifluoro-RefChem:1075383N-2-Benzothiazolyl-2,2,2-trifluoroacetamideNSC107200Enamine_000291SCHEMBL6190386DTXSID30977458OJYXDRRHLBMRII-UHFFFAOYSA-NHMS1394N05AKOS000505816NSC 107200
Show more names
NSC-107200ST50729411N-benzothiazol-2-yl-2,2,2-trifluoroacetamideSR-01000318427SR-01000318427-1N-(1,3-Benzothiazol-2-yl)tri(fluoro)ethanimidic acidN-(1,3-Benzothiazol-2-yl)-2,2,2-trifluoroethanimidic acid
Database identifiers
- CAS
61906-65-8- PubChem CID
- 97229
- DTXSID
DTXSID30977458- Nikkaji
- J2.549.675B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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