Free Chemical Databases
-
[Synonyms]
NSC304451
AIDS128888
AIDS-128888
NSC 304451
5-(4-Methoxyphenyl)-1,3-thiaselenole-2-thione
65456-33-9
[Structure]
[ Properties Computed from Structure]
Molecular Weight 287.25992 [g/mol] Molecular Formula C10H8OS2Se H-Bond Donor 0 H-Bond Acceptor 1 Rotatable Bond Count 2 Exact Mass 287.918178 MonoIsotopic Mass 287.918178 Topological Polar Surface Area 9.2 Heavy Atom Count 14 Formal Charge 0 Complexity 257 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: 5-(4-methoxyphenyl)-1,3-thiaselenole-2-thione
Canonical SMILES: COC1=CC=C(C=C1)C2=C[Se]C(=S)S2
InChI: InChI=1/C10H8OS2Se/c1-11-8-4-2-7(3-5-8)9-6-14-10(12)13-9/h2-6H,1H3
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