Basic information
- CAS
4299-06-3- Standard SMILES
CCn1sc2ccccc2c1=O- InChIKey
RTMDCQYUXWCPQG-UHFFFAOYSA-N- Molecular formula
- C9H9NOS
- Average molar mass
- 179.24 g/mol
- Monoisotopic mass
- 179.04048508
Names & identifiers
- Preferred name
- 2-Ethyl-1,2-benzothiazol-3-one
- IUPAC
- 2-ethyl-1,2-benzothiazol-3-one
Names & synonyms
CHEMBL19964924299-06-32-ethyl-1,2-benzothiazol-3-oneNSC357895SCHEMBL3143600SCHEMBL29678965DTXSID90320320BDBM50435393NSC-3578952-Ethyl-1,2-benzothiazol-3(2H)-oneNCI60_003247
Database identifiers
- CAS
4299-06-3- PubChem CID
- 337889
- DTXSID
DTXSID90320320- ChEMBL
CHEMBL1996492- Nikkaji
- J2.209.529C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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