Free Chemical Databases
-
[Synonyms]
NSC409866
[Structure]
[ Properties Computed from Structure]
Molecular Weight 416.01574 [g/mol] Molecular Formula C6H10I2O3S XLogP 2.2 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 2 Exact Mass 415.844001 MonoIsotopic Mass 415.844001 Topological Polar Surface Area 43.4 Heavy Atom Count 12 Formal Charge 0 Complexity 216 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 2 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2,6-bis(iodomethyl)-1,4-oxathiane 4,4-dioxide
Canonical SMILES: C1C(OC(CS1(=O)=O)CI)CI
InChI: InChI=1/C6H10I2O3S/c7-1-5-3-12(9,10)4-6(2-8)11-5/h5-6H,1-4H2
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