Basic information
- CAS
331660-10-7- Standard SMILES
N#Cc1c(N=Cc2cc(Br)cc(Br)c2OCc2ccc(Cl)cc2Cl)sc2c1CCC2- InChIKey
DPVMCHMHUMOOCX-UHFFFAOYSA-N- Molecular formula
- C22H14Br2Cl2N2OS
- Average molar mass
- 585.1 g/mol
- Monoisotopic mass
- 581.85706
Names & identifiers
- Preferred name
- 2-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
- IUPAC
- 2-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
- English name
- 2-({3,5-dibromo-2-[(2,4-dichlorobenzyl)oxy]benzylidene}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
- Molecular formula
- C22H14Br2Cl2N2OS
- Molecular weight
- 585.14
Names & synonyms
2-({3,5-dibromo-2-[(2,4-dichlorobenzyl)oxy]benzylidene}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
Database identifiers
- CAS
331660-10-7- PubChem CID
- 1719780
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 677
Physicochemical properties
- Boiling point
- 729.809 · 729.809±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.728 · 1.728±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.053 · 3.053±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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