Basic information
- CAS
31924-43-3- Standard SMILES
CN1C(=CC(=O)c2ccc(Cl)cc2)Sc2ccccc21- InChIKey
YQKVHOFMQZBZCQ-UHFFFAOYSA-N- Molecular formula
- C16H12ClNOS
- Average molar mass
- 301.8 g/mol
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethanone
- IUPAC
- 1-(4-chlorophenyl)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethanone
- English name
- 1-(4-chlorophenyl)-2-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)ethanone
- Molecular formula
- C16H12ClNOS
- Molecular weight
- 301.79
Names & synonyms
AKOS0306948431-(4-chlorophenyl)-2-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)ethanone
Database identifiers
- CAS
31924-43-3
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- Boiling point
- 413.233 · 413.233±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.387 · 1.387±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.751 · -1.751±0.20(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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