Basic information
- CAS
339022-78-5- Standard SMILES
Clc1ccc(Sc2nc3sccn3c2C=NOCc2ccc(Cl)cc2Cl)cc1- InChIKey
OPIQMUYLGYFHGE-UHFFFAOYSA-N- Molecular formula
- C19H12Cl3N3OS2
- Average molar mass
- 468.8 g/mol
Names & identifiers
- Preferred name
- 1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-[(2,4-dichlorophenyl)methoxy]methanimine
- IUPAC
- 1-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-[(2,4-dichlorophenyl)methoxy]methanimine
- English name
- 6-[(4-Chlorophenyl)sulfanyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde O-(2,4-dichlorobenzyl)oxime
- Molecular formula
- C19H12Cl3N3OS2
- Molecular weight
- 468.81
Names & synonyms
6-[(4-Chlorophenyl)sulfanyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde O-(2,4-dichlorobenzyl)oximeImidazo[2,1-b]thiazole-5-carboxaldehyde, 6-[(4-chlorophenyl)thio]-, O-[(2,4-dichlorophenyl)methyl]oxime(E)-({6-[(4-chlorophenyl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl}methylidene)[(2,4-dichlorophenyl)methoxy]amine
Database identifiers
- CAS
339022-78-5
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 539
Physicochemical properties
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 2.77 · 2.77±0.40(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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