Basic information
- Standard SMILES
O=C([O-])Cc1nc2ccccc2s1- InChIKey
ZOAYQTSFMDZTQA-UHFFFAOYSA-M- Molecular formula
- C9H6NO2S-
- Average molar mass
- 192.22 g/mol
Names & identifiers
- Preferred name
- alpha-(Benzothiazol-2-yl)-acetate
- IUPAC
- 2-(1,3-benzothiazol-2-yl)acetate
Names & synonyms
ZOAYQTSFMDZTQA-UHFFFAOYSA-Malpha-(benzothiazol-2-yl)-acetateAM-814/41094038
Database identifiers
- PubChem CID
- 7128533
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- -1
- Complexity
- 204
Related reactions
3 records
Compound notes
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