Basic information
- Standard SMILES
Cc1nc2ccc(O)c(C=O)c2s1- InChIKey
XVKDPBIMGQTQGU-UHFFFAOYSA-N- Molecular formula
- C9H7NO2S
- Average molar mass
- 193.22 g/mol
Names & identifiers
- Preferred name
- 6-Hydroxy-2-methyl-1,3-benzothiazole-7-carbaldehyde
- IUPAC
- 6-hydroxy-2-methyl-1,3-benzothiazole-7-carbaldehyde
Names & synonyms
190270-90-76-Hydroxy-2-methyl-1,3-benzothiazole-7-carbaldehydeSCHEMBL83257477-Benzothiazolecarboxaldehyde,6-hydroxy-2-methyl-(9CI)XVKDPBIMGQTQGU-UHFFFAOYSA-NDB-3335626-Hydroxy-2-methyl-benzothiazole-7-carboxaldehyde6-HYDROXY-2-METHYL-7-BENZOTHIAZOLECARBOXALDEHYDE
Database identifiers
- PubChem CID
- 18922334
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 212
Related reactions
4 records
Compound notes
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