3-Ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-octadecylimino-1,3-thiazolidin-4-one
Basic information
- CAS
332413-86-2- Standard SMILES
CCCCCCCCCCCCCCCCCCN=C1SC(=C2Sc3ccccc3N2C)C(=O)N1CC- InChIKey
AJPFPNADYXSDGT-UHFFFAOYSA-N- Molecular formula
- C31H49N3OS2
- Average molar mass
- 543.9 g/mol
Names & identifiers
- Preferred name
- 3-Ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-octadecylimino-1,3-thiazolidin-4-one
- IUPAC
- 3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-octadecylimino-1,3-thiazolidin-4-one
- English name
- 3-ethyl-5-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-(octadecylimino)-1,3-thiazolidin-4-one
- Molecular formula
- C31H49N3OS2
- Molecular weight
- 543.87
Names & synonyms
3-ethyl-5-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-(octadecylimino)-1,3-thiazolidin-4-one
Database identifiers
- CAS
332413-86-2
Properties
Computed structural properties
- XLogP
- 11.9
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 18
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 738
Physicochemical properties
- Boiling point
- 574.57 · 574.570±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.098 · 1.098±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.351 · -2.351±0.20(predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…