Compound 19
  CheckMol                        TMF02:r0:m0
MF=C7H5NS2 MW=167.24
 10 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
    1.3617   -0.6039   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.0183   -1.1012   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.6524    0.1658   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1959   -2.0840   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -0.2723   -2.3919   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.5339   -1.0894   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.0420   -3.6825   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.3036   -2.3800   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.5576   -3.6707   -0.0000 C   0 00  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

2D Structure

2-Mercaptobenzothiazole

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Chemical Name - 2-Mercaptobenzothiazole
Mol Weight - 167.256
Smiles - Sc1nc(cccc2)c2s1

Property Name	Property Value
Mol Name	2-Mercaptobenzothiazole
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	1
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
InChIKey	InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChI	YXIWHUQXZSMYRE-UHFFFAOYSA-N

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1 — 2-Mercaptobenzothiazole | 2 — 2-Mercaptobenzothiazole