Benzaldehyde, 2,4-dichloro-, 2-benzothiazolylhydrazone
Basic information
- CAS
73664-52-5- Standard SMILES
Clc1ccc(/C=N/Nc2nc3ccccc3s2)c(Cl)c1- InChIKey
YUPRYQYVCWVVLK-CAOOACKPSA-N- Molecular formula
- C14H9Cl2N3S
- Average molar mass
- 322.2 g/mol
- Monoisotopic mass
- 320.9894239
Names & identifiers
- Preferred name
- Benzaldehyde, 2,4-dichloro-, 2-benzothiazolylhydrazone
- IUPAC
- N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1,3-benzothiazol-2-amine
- English name
- 2,4-Dichlorobenzaldehyde (benzothiazol-2-yl)hydrazone
- Molecular formula
- C14H9Cl2N3S
- Molecular weight
- 322.21
Names & synonyms
73664-52-5BENZALDEHYDE, 2,4-DICHLORO-, 2-BENZOTHIAZOLYLHYDRAZONERefChem:10778192,4-Dichlorobenzaldehyde 2-benzothiazolylhydrazone2,4-Dichlorobenzaldehyde 1,3-benzothiazol-2-ylhydrazoneNSC 45091N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1,3-benzothiazol-2-amineCHEMBL3325581YUPRYQYVCWVVLK-CAOOACKPSA-NDTXSID701368979CCG-9234NSC45091
Show more names
2,4-Dichlorobenzaldehyde (benzothiazol-2-yl)hydrazone
NSC-45091STL419519AKOS000411573WLN: T56 BN DSJ CMNU1R BG DGBIM-0019218.P001Benzaldehyde,4-dichloro-, 2-benzothiazolylhydrazoneZ49559694Benzaldehyde, 2,4-dichloro-, 2-(2-benzothiazolyl)hydrazone
Database identifiers
- CAS
73664-52-5- PubChem CID
- 5339871
- DTXSID
DTXSID701368979- ChEMBL
CHEMBL3325581- Nikkaji
- J148.927E
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Boiling point
- 466.664 · 466.664±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.466 · 1.466±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.632 · 9.632±0.70(predicted)
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Compound notes
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