[(2,6-dichlorophenyl)methylideneamino] N-[3-(2,6-dichlorophenyl)-1,2-thiazol-4-yl]carbamate
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Basic information
- CAS
832113-70-9- Standard SMILES
O=C(Nc1csnc1-c1c(Cl)cccc1Cl)ON=Cc1c(Cl)cccc1Cl- InChIKey
LZACBVQXZLISMB-UHFFFAOYSA-N- Molecular formula
- C17H9Cl4N3O2S
- Average molar mass
- 461.1 g/mol
- Monoisotopic mass
- 458.916958
Names & identifiers
- Preferred name
- [(2,6-dichlorophenyl)methylideneamino] N-[3-(2,6-dichlorophenyl)-1,2-thiazol-4-yl]carbamate
- IUPAC
- [(2,6-dichlorophenyl)methylideneamino] N-[3-(2,6-dichlorophenyl)-1,2-thiazol-4-yl]carbamate
- English name
- [3-(2,6-DICHLOROPHENYL)-ISOTHIAZOL-4-YL]-CARBAMOYL 2,6-DICHLOROBENZALDEHYDE OXIME
- Molecular formula
- C17H9Cl4N3O2S
- Molecular weight
- 461.15
Names & synonyms
[3-(2,6-DICHLOROPHENYL)-ISOTHIAZOL-4-YL]-CARBAMOYL 2,6-DICHLOROBENZALDEHYDE OXIMEBenzaldehyde, 2,6-dichloro-, O-[[[3-(2,6-dichlorophenyl)-4-isothiazolyl]amino]carbonyl]oxime (9CI)
Database identifiers
- CAS
832113-70-9- PubChem CID
- 2726510
Properties
Computed structural propertiesFilling in
- XLogP
- 6.4
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 524
Physicochemical properties
- Density
- 1.589 · 1.589±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.915 · 10.915±0.70(predicted)
Related reactions
0 records
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Compound notes
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