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228547-64-6 | 1,2,3-Oxathiazolidine, 4,4-dimethyl-3-(phenylmethyl)-, 2,2-dioxide
CAS No: 228547-64-6 Catalog No: AG007PET MDL No:
Product Description
Catalog Number:
AG007PET
Chemical Name:
1,2,3-Oxathiazolidine, 4,4-dimethyl-3-(phenylmethyl)-, 2,2-dioxide
CAS Number:
228547-64-6
Molecular Formula:
C11H15NO3S
Molecular Weight:
241.3067
IUPAC Name:
3-benzyl-4,4-dimethyloxathiazolidine 2,2-dioxide
InChI:
InChI=1S/C11H15NO3S/c1-11(2)9-15-16(13,14)12(11)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChI Key:
NEECDVMYLJIKPB-UHFFFAOYSA-N
SMILES:
CC1(C)COS(=O)(=O)N1Cc1ccccc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.077g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.305g/mol
Monoisotopic Mass:
241.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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