Free Chemical Databases
-
[Synonyms]
NSC33222
7124-50-7
[Structure]
[ Properties Computed from Structure]
Molecular Weight 162.273 [g/mol] Molecular Formula C6H10OS2 XLogP 1.8 H-Bond Donor 0 H-Bond Acceptor 1 Rotatable Bond Count 5 Exact Mass 162.017306 MonoIsotopic Mass 162.017306 Topological Polar Surface Area 9.2 Heavy Atom Count 9 Formal Charge 0 Complexity 101 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: O-ethyl prop-2-enylsulfanylmethanethioate
Canonical SMILES: CCOC(=S)SCC=C
InChI: InChI=1/C6H10OS2/c1-3-5-9-6(8)7-4-2/h3H,1,4-5H2,2H3
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