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Home Carboxys 2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazolidine-4-carboxylic acid

2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazolidine-4-carboxylic acid

CAS No.:
72678-96-7
Catalog Number:
AG00IVMI
Molecular Formula:
C11H11NO4S
Molecular Weight:
253.2743
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
50mg
1 week
United States
$119
- +
250mg
1 week
United States
$198
- +
1g
1 week
United States
$510
- +
Product Description
Catalog Number:
AG00IVMI
Chemical Name:
2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazolidine-4-carboxylic acid
CAS Number:
72678-96-7
Molecular Formula:
C11H11NO4S
Molecular Weight:
253.2743
MDL Number:
MFCD00170367
IUPAC Name:
2-(1,3-benzodioxol-5-yl)-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C11H11NO4S/c13-11(14)7-4-17-10(12-7)6-1-2-8-9(3-6)16-5-15-8/h1-3,7,10,12H,4-5H2,(H,13,14)
InChI Key:
XFGXAJCIOOXIGL-UHFFFAOYSA-N
SMILES:
OC(=O)C1CSC(N1)c1ccc2c(c1)OCO2
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.041g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
253.272g/mol
Monoisotopic Mass:
253.041g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties