Home Other Building Blocks 4-Isopropyl-6-Methoxysaccharin

4-Isopropyl-6-Methoxysaccharin

CAS No.:
142577-01-3
Catalog Number:
AG01DHTD
Molecular Formula:
C11H13NO4S
Molecular Weight:
255.2902
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$200
- +
Product Description
Catalog Number:
AG01DHTD
Chemical Name:
4-Isopropyl-6-Methoxysaccharin
CAS Number:
142577-01-3
Molecular Formula:
C11H13NO4S
Molecular Weight:
255.2902
MDL Number:
MFCD18459346
IUPAC Name:
6-methoxy-1,1-dioxo-4-propan-2-yl-1,2-benzothiazol-3-one
InChI:
InChI=1S/C11H13NO4S/c1-6(2)8-4-7(16-3)5-9-10(8)11(13)12-17(9,14)15/h4-6H,1-3H3,(H,12,13)
InChI Key:
SGQJHTPAGPKONZ-UHFFFAOYSA-N
SMILES:
COc1cc(C(C)C)c2c(c1)S(=O)(=O)NC2=O
Properties
Complexity:
412  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.057g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.288g/mol
Monoisotopic Mass:
255.057g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties