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822-54-8,MFCD10700226
Catalog No.:AA005GN1

822-54-8 | 4-Isothiazolecarboxaldehyde

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$525.00   $368.00
- +
1g
95%
in stock  
$691.00   $484.00
- +
5g
95%
in stock  
$2,759.00   $1,932.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA005GN1
Chemical Name:
4-Isothiazolecarboxaldehyde
CAS Number:
822-54-8
Molecular Formula:
C4H3NOS
Molecular Weight:
113.1377
MDL Number:
MFCD10700226
SMILES:
O=Cc1csnc1
Properties
Properties
 
BP:
98.5±23.0°C at 760 mmHg  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
76.1  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.4  

Downstream Synthesis Route

[1]Benschop;vanOosten;Platenburg;vanHooidonk[Journalofmedicinalchemistry,1970,vol.13,#6,p.1208-1212]

[1]Benschop;vanOosten;Platenburg;vanHooidonk[Journalofmedicinalchemistry,1970,vol.13,#6,p.1208-1212]

[1]Huebenett,F.etal.[AngewandteChemie,1963,vol.75,p.1189-1193]

[1]Benschop;vanOosten;Platenburg;vanHooidonk[Journalofmedicinalchemistry,1970,vol.13,#6,p.1208-1212]

[1]Benschop;vanOosten;Platenburg;vanHooidonk[Journalofmedicinalchemistry,1970,vol.13,#6,p.1208-1212]

Literature
Quotation Request
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SDS
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88511-36-8
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Tags:822-54-8 Molecular Formula|822-54-8 MDL|822-54-8 SMILES|822-54-8 4-Isothiazolecarboxaldehyde
Catalog No.: AA005GN1
822-54-8,MFCD10700226
822-54-8 | 4-Isothiazolecarboxaldehyde
Pack Size： 250mg
Purity： 95%
in stock
$525.00 $368.00
Pack Size： 1g
Purity： 95%
in stock
$691.00 $484.00
Pack Size： 5g
Purity： 95%
in stock
$2,759.00 $1,932.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA005GN1
Chemical Name: 4-Isothiazolecarboxaldehyde
CAS Number: 822-54-8
Molecular Formula: C4H3NOS
Molecular Weight: 113.1377
MDL Number: MFCD10700226
SMILES: O=Cc1csnc1
Properties
BP: 98.5±23.0°C at 760 mmHg  
Storage: Inert atmosphere;2-8℃;  
Complexity: 76.1  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 7  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.4  
Downstream Synthesis Route
30192-61-1    822-54-8 

[1]Benschop;vanOosten;Platenburg;vanHooidonk[Journalofmedicinalchemistry,1970,vol.13,#6,p.1208-1212]

107-21-1    822-54-8    30192-62-2 

[1]Benschop;vanOosten;Platenburg;vanHooidonk[Journalofmedicinalchemistry,1970,vol.13,#6,p.1208-1212]

75-52-5    822-54-8    89282-10-0 

[1]Huebenett,F.etal.[AngewandteChemie,1963,vol.75,p.1189-1193]

822-54-8    30040-88-1 

[1]Benschop;vanOosten;Platenburg;vanHooidonk[Journalofmedicinalchemistry,1970,vol.13,#6,p.1208-1212]

822-54-8    30040-89-2 

[1]Benschop;vanOosten;Platenburg;vanHooidonk[Journalofmedicinalchemistry,1970,vol.13,#6,p.1208-1212]

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