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88515-24-6

88515-24-6 | 2-Benzothiazolesulfonamide, 5-(acetyloxy)-

CAS No: 88515-24-6 Catalog No: AG004895 MDL No:

Product Description

Catalog Number:
AG004895
Chemical Name:
2-Benzothiazolesulfonamide, 5-(acetyloxy)-
CAS Number:
88515-24-6
Molecular Formula:
C9H8N2O4S2
Molecular Weight:
272.3008
IUPAC Name:
(2-sulfamoyl-1,3-benzothiazol-5-yl) acetate
InChI:
InChI=1S/C9H8N2O4S2/c1-5(12)15-6-2-3-8-7(4-6)11-9(16-8)17(10,13)14/h2-4H,1H3,(H2,10,13,14)
InChI Key:
IKGGNKSURGJUOI-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc2c(c1)nc(s2)S(=O)(=O)N

Properties

Complexity:
406  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.993g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
272.293g/mol
Monoisotopic Mass:
271.993g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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