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60374-43-8,MFCD00152209
Catalog No.:AA0036X9
60374-43-8 | 8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide
Pack Size
Purity
Availability
Price(USD)
Quantity
  
25mg
95%
in stock  
$1,192.00   $834.00
- +
100mg
95%
in stock  
$2,383.00   $1,668.00
- +
250mg
95%
in stock  
$5,000.00   $3,500.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA0036X9
Chemical Name:
8-hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide
CAS Number:
60374-43-8
Molecular Formula:
C10H12N2O4S
Molecular Weight:
256.2783
MDL Number:
MFCD00152209
IUPAC Name:
8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one
InChI:
InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3
InChI Key:
WJJLUCLOKVGHGK-UHFFFAOYSA-N
SMILES:
CC(N1C(=O)c2cccc(c2NS1(=O)=O)O)C
EC Number:
611-967-9
Properties
Computed Properties
 
Complexity:
415  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.052g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
256.276g/mol
Monoisotopic Mass:
256.052g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Synonyms
 
8-Hydroxybentazon 
60374-43-8 
AKOS030242526 
8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2 
8-Hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide # 
CID92362 
AR-1H4632 
C10-H12-N2-O4-S 
8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2lambda6,1,3-benzothiadiazin 
6212-32-4 
8-Hydroxybentazone 
1H-2,1,3-Benzothiadiazin-4(3H)-one, 8-hydroxy-3-(1-methylethyl)-, 2,2-dioxide 
8-Hydroxy-3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide 
AC1L3NYJ 
AC1Q6JRB 
CTK2F5291 
DTXSID30209140 
WJJLUCLOKVGHGK-UHFFFAOYSA-N 
Literature
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