Chem 2 Mercaptobenzothiazole Sodium Salt

Compound 19
  CheckMol                        TMF02:r0:m0
MF=C7H6NNaS2 MW=191.24
 11 11  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0 00  0  0  0  0  0  0  0  0  0  0
    1.3420    0.6710   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.2001   -1.4833   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.5892    2.1661   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3780   -0.4002   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.6716   -1.7305   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.7770   -2.6252   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.1778   -3.1431   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.2708   -4.0378   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2007   -4.2850   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.9913   -1.4126   -0.0000 Na  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
  6  8 01  0  1  0  0
  7  9 02  0  1  0  0
  8 10 02  0  1  0  0
  5  6 01  0  1  0  0
  9 10 01  0  1  0  0
M  END

2-Mercaptobenzothiazole Sodium Salt

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Chemical Name - 2-Mercaptobenzothiazole Sodium Salt
Mol Weight - 167.256
Smiles - Sc1nc(cccc2)c2s1.[Na]

Property Name	Property Value
Mol Name	2-Mercaptobenzothiazole Sodium Salt
Molweight	167.256
Monoisotopic Mass	166.986339
Clogp	2.1025
Clogs	-3.558
H Acceptors	1
Total Surface Area	118.42
Relative Psa	0.4555
Polar Surface Area	79.93
Druglikeness	-2.7626
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Complexity	0.74753
Fragments	2
Non H Atoms	10
Non Ch Atoms	3
Electronegative Atoms	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	1
Aromatic Nitrogens	1
Smiles	Sc1nc(cccc2)c2s1.[Na]
InChIKey	InChI=1S/C7H5NS2.Na.H/c9-7-8-5-3-1-2-4-6(5)10-7;;/h1-4H,(H,8,9);;
InChI	SUXGQYZEKNNCSG-UHFFFAOYSA-N

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1 - 2-Mercaptobenzothiazole Sodium Salt
2 - 2-Mercaptobenzothiazole Sodium Salt

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2-Mercaptobenzothiazole Sodium Salt