Basic information
- CAS
478042-10-3- Standard SMILES
Cc1ccn2c(C(CSc3ccc(Cl)cc3)=NO)c(C)nc2c1- InChIKey
ZQKNLUPXKAJHGP-UHFFFAOYSA-N- Molecular formula
- C17H16ClN3OS
- Average molar mass
- 345.8 g/mol
- Monoisotopic mass
- 345.070261
Names & identifiers
- Preferred name
- N-[2-(4-chlorophenyl)sulfanyl-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylidene]hydroxylamine
- IUPAC
- N-[2-(4-chlorophenyl)sulfanyl-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylidene]hydroxylamine
- English name
- 2-[(4-CHLOROPHENYL)SULFANYL]-1-(2,7-DIMETHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)-1-ETHANONE OXIME
- Molecular formula
- C17H16ClN3OS
- Molecular weight
- 345.85
Names & synonyms
Oprea1_356310N-[2-(4-chlorophenyl)sulfanyl-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethylidene]hydroxylamineEthanone, 2-[(4-chlorophenyl)thio]-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-, oxime2-[(4-CHLOROPHENYL)SULFANYL]-1-(2,7-DIMETHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)-1-ETHANONE OXIME(Z)-N-{2-[(4-chlorophenyl)sulfanyl]-1-{2,7-dimethylimidazo[1,2-a]pyridin-3-yl}ethylidene}hydroxylamine
Database identifiers
- CAS
478042-10-3- PubChem CID
- 3583413
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 428
Physicochemical properties
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 10.11 · 10.11±0.34(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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