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110704-19-3,MFCD11217324
Catalog No.:AA008X3S

110704-19-3 | Benzothiazole, 5-chloro-2-(chloromethyl)- (9CI)

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25mg
98%
2 weeks  
$162.00   $114.00
- +
50mg
98%
2 weeks  
$215.00   $150.00
- +
100mg
98%
2 weeks  
$329.00   $230.00
- +
250mg
98%
2 weeks  
$520.00   $364.00
- +
500mg
98%
2 weeks  
$834.00   $584.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA008X3S
Chemical Name:
Benzothiazole, 5-chloro-2-(chloromethyl)- (9CI)
CAS Number:
110704-19-3
Molecular Formula:
C8H5Cl2NS
Molecular Weight:
218.1030
MDL Number:
MFCD11217324
SMILES:
ClCc1nc2c(s1)ccc(c2)Cl
Properties
Computed Properties
 
Complexity:
167  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.4  

Downstream Synthesis Route

[1]Patent:WO2007/107758,2007,A1.Locationinpatent:Page/Pagecolumn88-89

[1]CurrentPatentAssignee:TAXISPHARMACEUTICALSINC-US2010/298388,2010,A1Locationinpatent:Page/Pagecolumn7

[2]Haydon,DavidJ.;Bennett,JamesM.;Brown,David;Collins,Ian;Galbraith,Greta;Lancett,Paul;MacDonald,Rebecca;Stokes,NeilR.;Chauhan,PramodK.;Sutariya,JigneshK.;Nayal,Narendra;Srivastava,Anil;Beanland,Joy;Hall,Robin;Henstock,Vincent;Noula,Caterina;Rockley,Chris;Czaplewski,Lloyd[JournalofMedicinalChemistry,2010,vol.53,#10,p.3927-3936]

94805-51-3    110704-19-3   
2-(5-chloro-1,3-benzothiazol-2-yl)methoxyisonicotinonitrile 

[1]Patent:WO2007/107758,2007,A1.Locationinpatent:Page/Pagecolumn90

94805-51-3    110704-19-3   
2-(5-chloro-1,3-benzothiazol-2-yl)methoxyisonicotinamide 

[1]Patent:WO2007/107758,2007,A1

Literature
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SDS
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Tags:110704-19-3 Molecular Formula|110704-19-3 MDL|110704-19-3 SMILES|110704-19-3 Benzothiazole, 5-chloro-2-(chloromethyl)- (9CI)
Catalog No.: AA008X3S
110704-19-3,MFCD11217324
110704-19-3 | Benzothiazole, 5-chloro-2-(chloromethyl)- (9CI)
Pack Size： 25mg
Purity： 98%
2 weeks
$162.00 $114.00
Pack Size： 50mg
Purity： 98%
2 weeks
$215.00 $150.00
Pack Size： 100mg
Purity： 98%
2 weeks
$329.00 $230.00
Pack Size： 250mg
Purity： 98%
2 weeks
$520.00 $364.00
Pack Size： 500mg
Purity： 98%
2 weeks
$834.00 $584.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA008X3S
Chemical Name: Benzothiazole, 5-chloro-2-(chloromethyl)- (9CI)
CAS Number: 110704-19-3
Molecular Formula: C8H5Cl2NS
Molecular Weight: 218.1030
MDL Number: MFCD11217324
SMILES: ClCc1nc2c(s1)ccc(c2)Cl
Properties
Complexity: 167  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.4  
Downstream Synthesis Route
20358-00-3    74974-54-2    110704-19-3 

[1]Patent:WO2007/107758,2007,A1.Locationinpatent:Page/Pagecolumn88-89

74974-54-2    1004-00-8    110704-19-3 

[1]CurrentPatentAssignee:TAXISPHARMACEUTICALSINC-US2010/298388,2010,A1Locationinpatent:Page/Pagecolumn7

[2]Haydon,DavidJ.;Bennett,JamesM.;Brown,David;Collins,Ian;Galbraith,Greta;Lancett,Paul;MacDonald,Rebecca;Stokes,NeilR.;Chauhan,PramodK.;Sutariya,JigneshK.;Nayal,Narendra;Srivastava,Anil;Beanland,Joy;Hall,Robin;Henstock,Vincent;Noula,Caterina;Rockley,Chris;Czaplewski,Lloyd[JournalofMedicinalChemistry,2010,vol.53,#10,p.3927-3936]

94805-51-3    110704-19-3   
2-(5-chloro-1,3-benzothiazol-2-yl)methoxyisonicotinonitrile 

[1]Patent:WO2007/107758,2007,A1.Locationinpatent:Page/Pagecolumn90

94805-51-3    110704-19-3   
2-(5-chloro-1,3-benzothiazol-2-yl)methoxyisonicotinamide 

[1]Patent:WO2007/107758,2007,A1

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