Morpholine,4,4'-sulfonylbis- 5328-68-7 98%
Identification and Related Records
【Name】
Morpholine,4,4'-sulfonylbis-
【Iupac name】
4-morpholin-4-ylsulfonylmorpholine
【CAS Registry number】
5328-68-7
【Synonyms】
Morpholine,4,4'-sulfonyldi- (7CI,8CI)
Bis(morpholin-4-yl) sulfone
N,N'-Sulfuryldimorpholine
NSC 1982
【Molecular Formula】
C8H16 N2 O4 S (Products with the same molecular formula)
【Molecular Weight】
236.2886
【Inchi】
InChI=1/C8H16N2O4S/c11-15(12,9-1-5-13-6-2-9)10-3-7-14-8-4-10/h1-8H2
【Canonical SMILES】
C1COCCN1S(=O)(=O)N2CCOCC2
Chemical and Physical Properties
【Density】
1.39g/cm3
【Boiling Point】
401.7°C at 760 mmHg
【Refractive Index】
1.564
【Flash Point】
196.7°C
【Computed Properties】
Molecular Weight:236.28864 [g/mol]
Molecular Formula:C8H16N2O4S
XLogP3-AA:-1.3
H-Bond Donor:0
H-Bond Acceptor:6
Rotatable Bond Count:2
Exact Mass:236.083078
MonoIsotopic Mass:236.083078
Topological Polar Surface Area:67.5
Heavy Atom Count:15
Formal Charge:0
Complexity:264
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:4.4
Conformer Sampling RMSD:0.6
CID Conformer Count:16
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