Home Aminos 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanoic acid

4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanoic acid

CAS No.:
71054-78-9
Catalog Number:
AG019JC0
Molecular Formula:
C11H12N2O4S
Molecular Weight:
268.2890
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Product Description
Catalog Number:
AG019JC0
Chemical Name:
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanoic acid
CAS Number:
71054-78-9
Molecular Formula:
C11H12N2O4S
Molecular Weight:
268.2890
MDL Number:
MFCD05262614
IUPAC Name:
4-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]butanoic acid
InChI:
InChI=1S/C11H12N2O4S/c14-10(15)6-3-7-12-11-8-4-1-2-5-9(8)18(16,17)13-11/h1-2,4-5H,3,6-7H2,(H,12,13)(H,14,15)
InChI Key:
OKRQABOQRFCMRS-UHFFFAOYSA-N
SMILES:
OC(=O)CCCNC1=NS(=O)(=O)c2c1cccc2
Properties
Complexity:
452  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.052g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
268.287g/mol
Monoisotopic Mass:
268.052g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties