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1291487-32-5 | 1-Azetidinecarboxylic acid, 3-[[(1,1-dimethylethyl)sulfinyl]imino]-, 1,1-dimethylethyl ester
CAS No: 1291487-32-5 Catalog No: AG000YWI MDL No:MFCD18839250
Product Description
Catalog Number:
AG000YWI
Chemical Name:
1-Azetidinecarboxylic acid, 3-[[(1,1-dimethylethyl)sulfinyl]imino]-, 1,1-dimethylethyl ester
CAS Number:
1291487-32-5
Molecular Formula:
C12H22N2O3S
Molecular Weight:
274.3797
MDL Number:
MFCD18839250
IUPAC Name:
tert-butyl 3-tert-butylsulfinyliminoazetidine-1-carboxylate
InChI:
InChI=1S/C12H22N2O3S/c1-11(2,3)17-10(15)14-7-9(8-14)13-18(16)12(4,5)6/h7-8H2,1-6H3
InChI Key:
JOBIXWHPZPUSTM-UHFFFAOYSA-N
SMILES:
O=C(N1CC(=NS(=O)C(C)(C)C)C1)OC(C)(C)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.135g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.379g/mol
Monoisotopic Mass:
274.135g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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