Home Sulfos 2,5-dioxo-1-(4-(pyridin-2-yldisulfanyl)butanoyloxy)pyrrolidine-3-sulfonic acid

2,5-dioxo-1-(4-(pyridin-2-yldisulfanyl)butanoyloxy)pyrrolidine-3-sulfonic acid

CAS No.:
1628113-16-5
Catalog Number:
AG001TFE
Molecular Formula:
C13H14N2O7S3
Molecular Weight:
406.4545
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
50mg
tech grade
In Stock USA
United States
$572
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Product Description
Catalog Number:
AG001TFE
Chemical Name:
2,5-dioxo-1-(4-(pyridin-2-yldisulfanyl)butanoyloxy)pyrrolidine-3-sulfonic acid
CAS Number:
1628113-16-5
Molecular Formula:
C13H14N2O7S3
Molecular Weight:
406.4545
MDL Number:
MFCD28556911
IUPAC Name:
2,5-dioxo-1-[4-(pyridin-2-yldisulfanyl)butanoyloxy]pyrrolidine-3-sulfonic acid
InChI:
InChI=1S/C13H14N2O7S3/c16-11-8-9(25(19,20)21)13(18)15(11)22-12(17)5-3-7-23-24-10-4-1-2-6-14-10/h1-2,4,6,9H,3,5,7-8H2,(H,19,20,21)
InChI Key:
QTOCZEQWVKQCHD-UHFFFAOYSA-N
SMILES:
O=C(ON1C(=O)CC(C1=O)S(=O)(=O)O)CCCSSc1ccccn1
Properties
Complexity:
620  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.996g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
406.442g/mol
Monoisotopic Mass:
405.996g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
190A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties