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33665-90-6 | 6-methyl-3,4-dihydro-1,2lambda6,3-oxathiazine-2,2,4-trione
CAS No: 33665-90-6 Catalog No: AG00K3ZQ MDL No:MFCD00868126
Product Description
Catalog Number:
AG00K3ZQ
Chemical Name:
6-methyl-3,4-dihydro-1,2lambda6,3-oxathiazine-2,2,4-trione
CAS Number:
33665-90-6
Molecular Formula:
C4H5NO4S
Molecular Weight:
163.1518
MDL Number:
MFCD00868126
IUPAC Name:
6-methyl-2,2-dioxooxathiazin-4-one
InChI:
InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)
InChI Key:
YGCFIWIQZPHFLU-UHFFFAOYSA-N
SMILES:
O=C1C=C(C)OS(=O)(=O)N1
UNII:
MA3UYZ6K1H
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.994g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.147g/mol
Monoisotopic Mass:
162.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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