Free Chemical Databases
-
[Synonyms]
NSC34724
[Structure]
[ Properties Computed from Structure]
Molecular Weight 254.84026 [g/mol] Molecular Formula C10H19ClOS2 XLogP 4.3 H-Bond Donor 0 H-Bond Acceptor 1 Rotatable Bond Count 10 Exact Mass 254.056584 MonoIsotopic Mass 254.056584 Topological Polar Surface Area 17.1 Heavy Atom Count 14 Formal Charge 0 Complexity 142 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
[ Descriptors Computed from Structure]
IUPAC Name: S-[2-(2-chloroethylsulfanyl)ethyl] hexanethioate
Canonical SMILES: CCCCCC(=O)SCCSCCCl
InChI: InChI=1/C10H19ClOS2/c1-2-3-4-5-10(12)14-9-8-13-7-6-11/h2-9H2,1H3
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