Basic information
- CAS
66252-21-9- Standard SMILES
CCC1(c2ccccc2)Sc2ccccc2N1C(C)=O- InChIKey
JZOVTVQIMMMFRT-UHFFFAOYSA-N- Molecular formula
- C17H17NOS
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.10308534
Names & identifiers
- Preferred name
- 1-(2-Ethyl-2-phenyl-1,3-benzothiazol-3(2H)-yl)ethan-1-one
- IUPAC
- 1-(2-ethyl-2-phenyl-1,3-benzothiazol-3-yl)ethanone
Names & synonyms
66252-21-9DTXSID004951941-(2-Ethyl-2-phenyl-1,3-benzothiazol-3(2H)-yl)ethan-1-oneRefChem:223438DTXCID40446004
Database identifiers
- CAS
66252-21-9- PubChem CID
- 12377517
- DTXSID
DTXSID00495194
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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