Free Chemical Databases
-
[Synonyms]
NCI60_024229
[Structure]
[ Properties Computed from Structure]
Molecular Weight 320.60036 [g/mol] Molecular Formula C14H24S4 XLogP 4.5 H-Bond Donor 0 H-Bond Acceptor 0 Rotatable Bond Count 4 Exact Mass 320.076084 MonoIsotopic Mass 320.076084 Topological Polar Surface Area 0 Heavy Atom Count 18 Formal Charge 0 Complexity 248 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-[4-(1,3-dithian-2-yl)-2,3-dimethylbut-2-enyl]-1,3-dithiane
Canonical SMILES: CC(=C(C)CC1SCCCS1)CC2SCCCS2
InChI: InChI=1/C14H24S4/c1-11(9-13-15-5-3-6-16-13)12(2)10-14-17-7-4-8-18-14/
h13-14H,3-10H2,1-2H3
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