Home Aminos 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanoic acid

6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanoic acid

CAS No.:
729582-16-5
Catalog Number:
AG019I00
Molecular Formula:
C13H16N2O4S
Molecular Weight:
296.3421
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Product Description
Catalog Number:
AG019I00
Chemical Name:
6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanoic acid
CAS Number:
729582-16-5
Molecular Formula:
C13H16N2O4S
Molecular Weight:
296.3421
MDL Number:
MFCD03970722
IUPAC Name:
6-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]hexanoic acid
InChI:
InChI=1S/C13H16N2O4S/c16-12(17)8-2-1-5-9-14-13-10-6-3-4-7-11(10)20(18,19)15-13/h3-4,6-7H,1-2,5,8-9H2,(H,14,15)(H,16,17)
InChI Key:
XWBKSQVGTWLUPB-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCNC1=NS(=O)(=O)c2c1cccc2
Properties
Complexity:
481  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.083g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
296.341g/mol
Monoisotopic Mass:
296.083g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties