Basic information
- Standard SMILES
COc1ccc2nc(C)sc2c1C=O- InChIKey
IOTPVOZADGTDRR-UHFFFAOYSA-N- Molecular formula
- C10H9NO2S
- Average molar mass
- 207.25 g/mol
- Monoisotopic mass
- 207.0353997
Names & identifiers
- Preferred name
- 6-Methoxy-2-methyl-1,3-benzothiazole-7-carbaldehyde
- IUPAC
- 6-methoxy-2-methyl-1,3-benzothiazole-7-carbaldehyde
Names & synonyms
190270-91-86-Methoxy-2-methyl-1,3-benzothiazole-7-carbaldehydeSCHEMBL83266227-Benzothiazolecarboxaldehyde,6-methoxy-2-methyl-(9CI)IOTPVOZADGTDRR-UHFFFAOYSA-NDB-3335876-Methoxy-2-methyl-benzothiazole-7-carboxaldehyde6-METHOXY-2-METHYL-7-BENZOTHIAZOLECARBOXALDEHYDE
Database identifiers
- PubChem CID
- 18922372
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Related reactions
2 records
Compound notes
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