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19044-42-9 | 1,2,3-Oxathiazolidine, 2,2-dioxide
CAS No: 19044-42-9 Catalog No: AG002EKI MDL No:MFCD22566145
Product Description
Catalog Number:
AG002EKI
Chemical Name:
1,2,3-Oxathiazolidine, 2,2-dioxide
CAS Number:
19044-42-9
Molecular Formula:
C2H5NO3S
Molecular Weight:
123.1310
MDL Number:
MFCD22566145
IUPAC Name:
oxathiazolidine 2,2-dioxide
InChI:
InChI=1S/C2H5NO3S/c4-7(5)3-1-2-6-7/h3H,1-2H2
InChI Key:
MBACRDZWRXWNMY-UHFFFAOYSA-N
SMILES:
O=S1(=O)NCCO1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.999g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
123.126g/mol
Monoisotopic Mass:
122.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Literature
| Title | Journal |
|---|---|
| Synthesis of the kappa-agonist CJ-15,161 via a palladium-catalyzed cross-coupling reaction. | Chemical communications (Cambridge, England) 20020807 |
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