Compound 101
  CheckMol                        TMF02:r0:m0
MF=C9H11HgNaO2S MW=406.82
 14 13  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Hg  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5080   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2842   -0.7422   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3195    2.2738   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2724   -2.2267   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6273    1.5434   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3313    3.7819   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6391    0.0589   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9350    2.3092   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6391    4.5477   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3549   -0.6833   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9468   -0.6715   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9468    3.8172   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.2207   -0.6598   -0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6 02  0  1  0  0
  4  7 01  0  1  0  0
  6  8  1  0  0  0  0
  6  9 01  0  1  0  0
  7 10 02  0  1  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13 02  0  1  0  0
 10 13 01  0  1  0  0
M  CHG  1  12  -1
M  CHG  1  14   1
M  END

2D Structure

Thimerosal

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Chemical Name - Thimerosal
Mol Weight - 381.824
Smiles - CC[Hg]Sc(cccc1)c1C([O-])=O.[Na+]

Property Name	Property Value
Mol Name	Thimerosal
Molweight	381.824
Monoisotopic Mass	383.002942
Clogp	0.0195
Clogs	-4.531
H Acceptors	2
Total Surface Area	142.05
Relative Psa	0.31545
Polar Surface Area	65.43
Druglikeness	-1.2999
Mutagenic	low
Tumorigenic	low
Reproductive Effective	low
Irritant	low
Shape Index	0.61538
Molecular Flexibility	0.57206
Molecular Complexity	0.67089
Fragments	2
Non H Atoms	13
Non Ch Atoms	4
Metal Atoms	1
Electronegative Atoms	3
Rotatable Bonds	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	4
Acidic Oxygens	1
Smiles	CC[Hg]Sc(cccc1)c1C([O-])=O.[Na+]
InChIKey	InChI=1S/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;;2*+1/p-2
InChI	RTKIYNMVFMVABJ-UHFFFAOYSA-L

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1 — Thimerosal | 2 — Thimerosal