Basic information
- CAS
338401-68-6- Standard SMILES
CCOc1ccc(Br)cc1C=Cc1nc2ccccc2s1- InChIKey
JHTZMJFEQFZMJX-UHFFFAOYSA-N- Molecular formula
- C17H14BrNOS
- Average molar mass
- 360.3 g/mol
Names & identifiers
- Preferred name
- 2-[2-(5-Bromo-2-ethoxyphenyl)ethenyl]-1,3-benzothiazole
- IUPAC
- 2-[2-(5-bromo-2-ethoxyphenyl)ethenyl]-1,3-benzothiazole
- English name
- 2-(5-Bromo-2-ethoxystyryl)-1,3-benzothiazole
- Molecular formula
- C17H14BrNOS
- Molecular weight
- 360.27
Names & synonyms
Bionet1_0026662-(5-Bromo-2-ethoxystyryl)-1,3-benzothiazoleBenzothiazole, 2-[2-(5-bromo-2-ethoxyphenyl)ethenyl]-2-[(E)-2-(5-bromo-2-ethoxyphenyl)ethenyl]-1,3-benzothiazole2-[2-(1,3-BENZOTHIAZOL-2-YL)VINYL]-4-BROMOPHENYL ETHYL ETHER
Database identifiers
- CAS
338401-68-6
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Boiling point
- 499.24 · 499.240±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.464 · 1.464±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.992 · 0.992±0.10(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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