Basic information
- CAS
296246-14-5- Standard SMILES
Cc1cc(C)c2nc3sc(=Cc4ccccc4Cl)c(=O)n3c2c1- InChIKey
VITPYUXBVHWLNL-UHFFFAOYSA-N- Molecular formula
- C18H13ClN2OS
- Average molar mass
- 340.8 g/mol
Names & identifiers
- Preferred name
- 2-[(2-Chlorophenyl)methylidene]-5,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
- IUPAC
- 2-[(2-chlorophenyl)methylidene]-5,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
- English name
- 2-(2-chlorobenzylidene)-6,8-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
- Molecular formula
- C18H13ClN2OS
- Molecular weight
- 340.83
Names & synonyms
2-(2-chlorobenzylidene)-6,8-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Database identifiers
- CAS
296246-14-5
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 525
Physicochemical properties
- Boiling point
- 543.877 · 543.877±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.402 · 1.402±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.487 · 1.487±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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