Chem Tetrabutylthiuram Disulfide

Compound 4
  CheckMol                        TMF02:r0:m0
MF=C18H36N2S4 MW=408.74
 24 23  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    1.5104   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3216    2.2657   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2744    2.2657   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6315    1.5340   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5607    1.5340   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2626    3.7761   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9413    2.2893   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8469    2.2893   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0472    4.5431   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9531    3.7997   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2511    1.5576   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1331    1.5576   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0590    6.0535   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2629    0.0708   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5609    2.3129   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4193    2.3129   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3688    6.8206   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9767   -0.6608   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8708    1.5812   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9885   -2.1476   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1806    2.3365   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7023   -2.8911   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4904    1.6048   -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
  3  5  1  0  0  0  0
  4  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  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END

Tetrabutylthiuram Disulfide

₹ 0.00 0.00

Chemical Name - Tetrabutylthiuram Disulfide
Mol Weight - 408.762
Smiles - CCCCN(CCCC)C(SSC(N(CCCC)CCCC)=S)=S

Property Name	Property Value
Mol Name	Tetrabutylthiuram Disulfide
Molweight	408.762
Monoisotopic Mass	408.176128
Clogp	6.9782
Clogs	-5.426
H Acceptors	2
Total Surface Area	348.66
Relative Psa	0.28131
Polar Surface Area	121.26
Druglikeness	0.0365
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Shape Index	0.58333
Molecular Flexibility	0.72056
Molecular Complexity	0.55886
Fragments	1
Non H Atoms	24
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	15
Sp3 Atoms	20
Symmetric Atoms	16
Smiles	CCCCN(CCCC)C(SSC(N(CCCC)CCCC)=S)=S
InChIKey	InChI=1S/C18H36N2S4/c1-5-9-13-19(14-10-6-2)17(21)23-24-18(22)20(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
InChI	PGAXJQVAHDTGBB-UHFFFAOYSA-N

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Tetrabutylthiuram Disulfide