Chem Potassium 2 Iodo 5 Methylbenzenesulfonate Infi

Compound 127
  CheckMol                        TMF02:r0:m0
MF=C7H8IKO3S MW=338.20
 13 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.1456   -0.9585   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.8767   -2.4314   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5483   -0.4325   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.5494   -2.9341   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0223   -3.3900   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.6939   -1.3911   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.0754   -1.5080   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0468   -4.3369   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9755   -3.4368   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4251   -2.8640   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.5706   -3.8225   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3018   -3.3666   -0.0000 K   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5  1  0  0  0  0
  3  6 01  0  1  0  0
  4  7 02  0  1  0  0
  5  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11 02  0  1  0  0
 11 12  1  0  0  0  0
  7 11 01  0  1  0  0
M  CHG  1  10  -1
M  CHG  1  13   1
M  END

Potassium 2-Iodo-5-methylbenzenesulfonate

₹ 0.00 0.00

Chemical Name - Potassium 2-Iodo-5-methylbenzenesulfonate
Mol Weight - 297.088
Smiles - Cc(cc1)cc(S([O-])(=O)=O)c1I.[K+]

Property Name	Property Value
Mol Name	Potassium 2-Iodo-5-methylbenzenesulfonate
Molweight	297.088
Monoisotopic Mass	296.908238
Clogp	-1.0363
Clogs	-1.582
H Acceptors	3
Total Surface Area	147.91
Relative Psa	0.28977
Polar Surface Area	65.58
Druglikeness	-9.815
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Shape Index	0.5
Molecular Flexibility	0.44738
Molecular Complexity	0.69052
Fragments	2
Non H Atoms	12
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	3
Symmetric Atoms	1
Acidic Oxygens	1
Smiles	Cc(cc1)cc(S([O-])(=O)=O)c1I.[K+]
InChIKey	InChI=1S/C7H7IO3S.K/c1-5-2-3-6(8)7(4-5)12(9,10)11;/h2-4H,1H3,(H,9,10,11);/q;+1/p-1
InChI	LFQHEPUFDZVNHD-UHFFFAOYSA-M

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1 - Potassium 2-Iodo-5-methylbenzenesulfonate
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Potassium 2-Iodo-5-methylbenzenesulfonate