Chem Tert Butyl Benzothiazole Sulphenamide

Compound 11
  CheckMol                        TMF02:r0:m0
MF=C11H14N2S2 MW=238.37
 15 16  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0 00  0  0  0  0  0  0  0  0  0  0
   -0.1657   -1.4794   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.4557    0.3195   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.4794   -2.2250   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1953   -2.0830   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.2013   -0.9705   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.2013    1.6332   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.7931   -1.4557   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6925   -0.9586   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.6925    1.6451   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.1068   -2.2013   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4381    0.3551   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.3730   -3.4913   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4205   -2.9351   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8642   -0.8876   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2 01  0  1  0  0
  1  3 01  0  1  0  0
  2  4  1  0  0  0  0
  2  5 02  0  1  0  0
  3  6 02  0  2  0  0
  3  7 01  0  1  0  0
  4  8  1  0  0  0  0
  6  9 01  0  1  0  0
  7 10 02  0  1  0  0
  8 11  1  0  0  0  0
  9 12 02  0  1  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
  5  6 01  0  1  0  0
 10 12 01  0  1  0  0
M  END

Tert-Butyl Benzothiazole Sulphenamide

₹ 0.00 0.00

Chemical Name - Tert-Butyl Benzothiazole Sulphenamide
Mol Weight - 238.378
Smiles - CC(C)(C)NSc1nc(cccc2)c2s1

Property Name	Property Value
Mol Name	Tert-Butyl Benzothiazole Sulphenamide
Molweight	238.378
Monoisotopic Mass	238.059838
Clogp	3.3741
Clogs	-4.217
H Acceptors	2
H Donors	1
Total Surface Area	178.7
Relative Psa	0.33733
Polar Surface Area	78.46
Druglikeness	-0.81244
Mutagenic	high
Tumorigenic	low
Reproductive Effective	low
Irritant	low
Shape Index	0.6
Molecular Flexibility	0.5033
Molecular Complexity	0.655
Fragments	1
Non H Atoms	15
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	6
Symmetric Atoms	2
Aromatic Nitrogens	1
Smiles	CC(C)(C)NSc1nc(cccc2)c2s1
InChIKey	InChI=1S/C11H14N2S2/c1-11(2,3)13-15-10-12-8-6-4-5-7-9(8)14-10/h4-7,13H,1-3H3
InChI	IUJLOAKJZQBENM-UHFFFAOYSA-N

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Tert-Butyl Benzothiazole Sulphenamide