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877994-38-2 | 1,2,3-OXATHIAZOLIDINE, 5,5-DIMETHYL-3-[(4-METHYLPHENYL)SULFONYL]-4-(2-METHYLPROPYL)-, 2-OXIDE, (2S,4R)-
CAS No: 877994-38-2 Catalog No: AG004K5D MDL No:
Product Description
Catalog Number:
AG004K5D
Chemical Name:
1,2,3-OXATHIAZOLIDINE, 5,5-DIMETHYL-3-[(4-METHYLPHENYL)SULFONYL]-4-(2-METHYLPROPYL)-, 2-OXIDE, (2S,4R)-
CAS Number:
877994-38-2
Molecular Formula:
C15H23NO4S2
Molecular Weight:
345.4774
IUPAC Name:
(2S,4R)-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)oxathiazolidine 2-oxide
InChI:
InChI=1S/C15H23NO4S2/c1-11(2)10-14-15(4,5)20-21(17)16(14)22(18,19)13-8-6-12(3)7-9-13/h6-9,11,14H,10H2,1-5H3/t14-,21+/m1/s1
InChI Key:
KKYCAZWRVFLQGR-SZNDQCEHSA-N
SMILES:
CC(C[C@H]1N([S@@](=O)OC1(C)C)S(=O)(=O)c1ccc(cc1)C)C
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
345.107g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.472g/mol
Monoisotopic Mass:
345.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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