Chem 2h Benzimidazole 2 Thione Dsrpl

Compound 100
  CheckMol                        TMF02:r0:m0
MF=C7H4N2S MW=148.18
 10 11  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2894    0.7689   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4314    2.2713   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6498    0.1656   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8864    2.5907   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6435    1.2894   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6317    3.9037   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1340    1.3012   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1222    3.9156   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8793    2.6143   -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  1  0  0
  2  4  1  0  1  0  0
  3  5  2  0  1  0  0
  4  6  2  0  1  0  0
  5  7  1  0  1  0  0
  6  8  1  0  1  0  0
  7  9  2  0  1  0  0
  8 10  2  0  1  0  0
  5  6  1  0  2  0  0
  9 10  1  0  1  0  0
M  END

2H-Benzimidazole-2-thione

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Chemical Name - 2H-Benzimidazole-2-thione
Mol Weight - 148.189
Smiles - S=C1N=C(C=CC=C2)C2=N1

Property Name	Property Value
Mol Name	2H-Benzimidazole-2-thione
Molweight	148.189
Monoisotopic Mass	148.009518
Clogp	0.4006
Clogs	-2.016
H Acceptors	2
Total Surface Area	118.15
Relative Psa	0.43182
Polar Surface Area	56.81
Druglikeness	0.066221
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Flexibility	0.15284
Molecular Complexity	0.72752
Fragments	1
Non H Atoms	10
Non Ch Atoms	3
Electronegative Atoms	3
Rings Closures	2
Small Rings	2
Sp3 Atoms	1
Symmetric Atoms	4
Smiles	S=C1N=C(C=CC=C2)C2=N1
InChIKey	InChI=1S/C7H4N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H
InChI	FHXXWAWFWPVOAX-UHFFFAOYSA-N

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2H-Benzimidazole-2-thione