CID 91980644
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Basic information
- CAS
891658-73-4- Standard SMILES
COc1ccc(-c2nc3scc(C)n3c2C=O)c(Cl)c1- InChIKey
USROPEKKFWKLGI-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2O2S
- Average molar mass
- 306.8 g/mol
- Monoisotopic mass
- 306.0229765
Names & identifiers
- Preferred name
- CID 91980644
- IUPAC
- 6-(2-chloro-4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
- English name
- 6-(2-Chloro-4-methoxyphenyl)-3-methylimidazo[2,1-b]thiazole-5-carboxaldehyde
- Molecular formula
- C14H11ClN2O2S
- Molecular weight
- 306.77
Names & synonyms
6-(2-Chloro-4-methoxyphenyl)-3-methylimidazo[2,1-b]thiazole-5-carboxaldehydeImidazo[2,1-b]thiazole-5-carboxaldehyde, 6-(2-chloro-4-methoxyphenyl)-3-methyl-
Database identifiers
- CAS
891658-73-4- PubChem CID
- 91980644
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 3.53 · 3.53±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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