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

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

CAS No.:
743440-15-5
Catalog Number:
AG019J9Q
Molecular Formula:
C10H10N2O4S
Molecular Weight:
254.2624
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Product Description
Catalog Number:
AG019J9Q
Chemical Name:
3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid
CAS Number:
743440-15-5
Molecular Formula:
C10H10N2O4S
Molecular Weight:
254.2624
MDL Number:
MFCD05262716
IUPAC Name:
3-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoic acid
InChI:
InChI=1S/C10H10N2O4S/c13-9(14)5-6-11-10-7-3-1-2-4-8(7)17(15,16)12-10/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChI Key:
YFWGDLVXIBQIFI-UHFFFAOYSA-N
SMILES:
OC(=O)CCNC1=NS(=O)(=O)c2c1cccc2
Properties
Complexity:
438  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.036g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
254.26g/mol
Monoisotopic Mass:
254.036g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties