Home Carboxys tert-butyl 1,1-dioxo-1lambda6,2,5-thiadiazolidine-2-carboxylate

tert-butyl 1,1-dioxo-1lambda6,2,5-thiadiazolidine-2-carboxylate

CAS No.:
263719-76-2
Catalog Number:
AG01C26M
Molecular Formula:
C7H14N2O4S
Molecular Weight:
222.2621
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Product Description
Catalog Number:
AG01C26M
Chemical Name:
tert-butyl 1,1-dioxo-1lambda6,2,5-thiadiazolidine-2-carboxylate
CAS Number:
263719-76-2
Molecular Formula:
C7H14N2O4S
Molecular Weight:
222.2621
MDL Number:
MFCD24465830
IUPAC Name:
tert-butyl 1,1-dioxo-1,2,5-thiadiazolidine-2-carboxylate
InChI:
InChI=1S/C7H14N2O4S/c1-7(2,3)13-6(10)9-5-4-8-14(9,11)12/h8H,4-5H2,1-3H3
InChI Key:
APFAUGSFPCAVKB-UHFFFAOYSA-N
SMILES:
O=C(N1CCNS1(=O)=O)OC(C)(C)C
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.067g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.259g/mol
Monoisotopic Mass:
222.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties