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158756-25-3,MFCD11131115
Catalog No.:AA001QR8

158756-25-3 | Benzamide, 4-isothiocyanato-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
3 weeks  
$233.00   $163.00
- +
100mg
95%
3 weeks  
$290.00   $203.00
- +
250mg
95%
3 weeks  
$368.00   $258.00
- +
500mg
95%
3 weeks  
$599.00   $419.00
- +
1g
95%
3 weeks  
$777.00   $544.00
- +
2.5g
95%
3 weeks  
$1,411.00   $988.00
- +
5g
95%
3 weeks  
$2,034.00   $1,424.00
- +
10g
95%
3 weeks  
$2,959.00   $2,072.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA001QR8
Chemical Name:
Benzamide, 4-isothiocyanato-
CAS Number:
158756-25-3
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
MDL Number:
MFCD11131115
SMILES:
S=C=Nc1ccc(cc1)C(=O)N
Properties
Computed Properties
 
Complexity:
215  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.9  

Literature

Title: Carbonic anhydrase inhibitors: synthesis and inhibition of cytosolic/tumor-associated carbonic anhydrase isozymes I, II, and IX with sulfonamides derived from 4-isothiocyanato-benzolamide.

Journal: Bioorganic & medicinal chemistry letters 20041206

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