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5616-51-3

5616-51-3 structural image
Product Name: 2-METHYL-1,3-DITHIOLANE
Formula: C4H8S2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description liquid with a burnt alliaceous odour
Boiling Point 65.00 °C. @ 10.00 mm Hg
Solubility insoluble in water; slightly soluble in fat
Density 1.153 (d20/4)
Refractive Index 1.564-1.574
Kovats Retention Index 973 971 965 958 1014 996 996 982

COMPUTED DESCRIPTORS

Molecular Weight 120.2 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 120.00674260 g/mol
Monoisotopic Mass 120.00674260 g/mol
Topological Polar Surface Area 50.6 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 38.8
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
Compound Is Canonicalized Yes