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Compound 19
  CheckMol                        TMF02:r0:m0
MF=C9H22O4P2S4 MW=384.46
 19 18  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5076   -0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3191    0.7656   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2720    0.7656   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0236    3.0151   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6265    1.5193   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5558    1.5193   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2602    3.7689   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9338    0.7773   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8396    0.7773   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2485    5.2765   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2411    1.5311   -0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2529    0.0471   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2529    3.0387   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5485    0.7891   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9691    3.8042   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8558    1.5429   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9809    5.3118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1632    0.8009   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END

Ethion

₹ 0.00 0.00

Chemical Name - Ethion
Mol Weight - 384.482
Smiles - CCOP(OCC)(SCSP(OCC)(OCC)=S)=S

Property Name	Property Value
Mol Name	Ethion
Molweight	384.482
Monoisotopic Mass	383.987614
Clogp	4.8203
Clogs	-5.191
H Acceptors	4
Total Surface Area	283.78
Relative Psa	0.4896
Polar Surface Area	171.32
Druglikeness	-11.82
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Shape Index	0.57895
Molecular Flexibility	0.76186
Molecular Complexity	0.51585
Fragments	1
Non H Atoms	19
Non Ch Atoms	10
Electronegative Atoms	10
Rotatable Bonds	12
Sp3 Atoms	19
Symmetric Atoms	12
Smiles	CCOP(OCC)(SCSP(OCC)(OCC)=S)=S
InChIKey	InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3
InChI	RIZMRRKBZQXFOY-UHFFFAOYSA-N

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Ethion