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40991-34-2,MFCD01658903
Catalog No.:AA018S1Y

40991-34-2 | 1,2-Benzisothiazole-3-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$62.00   $44.00
- +
250mg
95%
in stock  
$97.00   $68.00
- +
500mg
95%
in stock  
$161.00   $113.00
- +
1g
95%
in stock  
$241.00   $169.00
- +
5g
95%
in stock  
$721.00   $505.00
- +
10g
95%
in stock  
$1,204.00   $843.00
- +
25g
95%
in stock  
$2,408.00   $1,686.00
- +
50g
95%
in stock  
$3,853.00   $2,697.00
- +
100g
95%
in stock  
$6,167.00   $4,317.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA018S1Y
Chemical Name:
1,2-Benzisothiazole-3-carboxylic acid
CAS Number:
40991-34-2
Molecular Formula:
C8H5NO2S
Molecular Weight:
179.1958
MDL Number:
MFCD01658903
SMILES:
OC(=O)c1nsc2c1cccc2
Properties
Properties
 
BP:
279.7°C at 760 mmHg  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
198  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.2  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
Tags:40991-34-2 Molecular Formula|40991-34-2 MDL|40991-34-2 SMILES|40991-34-2 1,2-Benzisothiazole-3-carboxylic acid |Heterocyclic_Building_Blocks