Home Other Building Blocks tert-butyl 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetate

tert-butyl 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetate

CAS No.:
50773-27-8
Catalog Number:
AG01B8EC
Molecular Formula:
C9H13NO4S
Molecular Weight:
231.2688
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Product Description
Catalog Number:
AG01B8EC
Chemical Name:
tert-butyl 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetate
CAS Number:
50773-27-8
Molecular Formula:
C9H13NO4S
Molecular Weight:
231.2688
MDL Number:
MFCD25963955
IUPAC Name:
tert-butyl 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetate
InChI:
InChI=1S/C9H13NO4S/c1-9(2,3)14-7(12)4-10-6(11)5-15-8(10)13/h4-5H2,1-3H3
InChI Key:
BKUAQGWOPUHCQD-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)CN1C(=O)CSC1=O
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.057g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.266g/mol
Monoisotopic Mass:
231.057g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties