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Home Other Building Blocks 6-Nitro-1,2-benzisothiazolin-3-one 1,1-dioxide

6-Nitro-1,2-benzisothiazolin-3-one 1,1-dioxide

CAS No.:
22952-24-5
Catalog Number:
AG002LOD
Molecular Formula:
C7H4N2O5S
Molecular Weight:
228.1821
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
97%
In Stock USA
United States
$32
- +
25g
97%
In Stock USA
United States
$100
- +
100g
97%
In Stock USA
United States
$250
- +
Product Description
Catalog Number:
AG002LOD
Chemical Name:
6-Nitro-1,2-benzisothiazolin-3-one 1,1-dioxide
CAS Number:
22952-24-5
Molecular Formula:
C7H4N2O5S
Molecular Weight:
228.1821
MDL Number:
MFCD00110677
IUPAC Name:
6-nitro-1,1-dioxo-1,2-benzothiazol-3-one
InChI:
InChI=1S/C7H4N2O5S/c10-7-5-2-1-4(9(11)12)3-6(5)15(13,14)8-7/h1-3H,(H,8,10)
InChI Key:
HZZFBUZSKAVIOV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)S(=O)(=O)NC2=O
UNII:
8E9B47A8XW
NSC Number:
358278
Properties
Complexity:
406  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.984g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.178g/mol
Monoisotopic Mass:
227.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Identification of ligands for two human bitter T2R receptors. Chemical senses 20040901
Properties