Basic information
- Standard SMILES
COc1ccc(-c2nc(C)ns2)c(C=O)c1- InChIKey
PRDNTAZARLGGKD-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2S
- Average molar mass
- 234.28 g/mol
- Monoisotopic mass
- 234.04629874
Names & identifiers
- Preferred name
- 5-Methoxy-2-(3-methyl-1,2,4-thiadiazol-5-yl)-benzaldehyde
- IUPAC
- 5-methoxy-2-(3-methyl-1,2,4-thiadiazol-5-yl)benzaldehyde
Names & synonyms
SCHEMBL1957841PRDNTAZARLGGKD-UHFFFAOYSA-N5-methoxy-2-(3-methyl-1,2,4-thiadiazol-5-yl)-benzaldehyde
Database identifiers
- PubChem CID
- 58542007
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Related reactions
3 records
Compound notes
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