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Compound 18
  CheckMol                        TMF02:r0:m0
MF=C10H20N2S3 MW=264.46
 15 14  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   -1.4931   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3272   -2.2277   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2798   -2.2277   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6425   -1.4694   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5714   -1.4694   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2679   -3.7208   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6543    0.0474   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9578   -2.2040   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8630   -2.2040   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5595   -4.4673   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9697   -3.6971   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2731   -1.4457   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6780   -4.4318   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5884   -2.1803   -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  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END

Monosulfiram

₹ 0.00 0.00

Chemical Name - Monosulfiram
Mol Weight - 264.481
Smiles - CCN(CC)C(SC(N(CC)CC)=S)=S

Property Name	Property Value
Mol Name	Monosulfiram
Molweight	264.481
Monoisotopic Mass	264.078858
Clogp	2.5776
Clogs	-2.569
H Acceptors	2
Total Surface Area	221.09
Relative Psa	0.36451
Polar Surface Area	95.96
Druglikeness	1.3856
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Flexibility	0.60108
Molecular Complexity	0.45401
Fragments	1
Non H Atoms	15
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	6
Sp3 Atoms	11
Symmetric Atoms	9
Smiles	CCN(CC)C(SC(N(CC)CC)=S)=S
InChIKey
InChI	C10H20N2S3

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Monosulfiram