Chem Di Sec Butyl Disulfide Sajjan

Compound 17
  CheckMol                        TMF02:r0:m0
MF=C8H18S2 MW=178.35
 10  9  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3096    0.7551   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2860    0.7551   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6192    0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5720    0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2742    2.2653   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9289    0.7669   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6310   -1.4748   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8581    0.7669   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2385    0.0236   -0.0000 C   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
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END

Di-Sec-Butyl-Disulfide

₹ 0.00 0.00

Chemical Name - Di-Sec-Butyl-Disulfide
Mol Weight - 178.363
Smiles - CCC(C)SSC(C)CC

Property Name	Property Value
Mol Name	Di-Sec-Butyl-Disulfide
Molweight	178.363
Monoisotopic Mass	178.08499
Clogp	4.1104
Clogs	-3.22
Total Surface Area	150.04
Relative Psa	0.23314
Polar Surface Area	50.6
Druglikeness	-0.96224
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.8
Molecular Flexibility	0.80477
Molecular Complexity	0.40236
Fragments	1
Non H Atoms	10
Non Ch Atoms	2
Electronegative Atoms	2
Stereo Centers	2
Rotatable Bonds	5
Sp3 Atoms	10
Symmetric Atoms	5
Smiles	CCC(C)SSC(C)CC
InChIKey	InChI=1S/C8H18S2/c1-5-7(3)9-10-8(4)6-2/h7-8H,5-6H2,1-4H3
InChI	QTWKINKGAHTPFJ-UHFFFAOYSA-N

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Di-Sec-Butyl-Disulfide