Chem 5 Amino 1h Benzimidazole 2 Thiol

Compound 2
  CheckMol                        TMF02:r0:m0
MF=C7H7N3S MW=165.21
 11 12  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2905    0.7577   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.6521    0.1539   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.4326    2.2614   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.6466    1.2787   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.8889    2.5811   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1384    1.2905   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.6348    3.8953   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.8843    2.6047   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1266    3.9071   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.3761    2.6166   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 01  0  1  0  0
  5  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
  9 11  1  0  0  0  0
  5  6 02  0  2  0  0
  9 10 01  0  1  0  0
M  END

5-Amino-1H-Benzimidazole-2-Thiol

₹ 0.00 0.00

Chemical Name - 5-Amino-1H-Benzimidazole-2-Thiol
Mol Weight - 165.22
Smiles - Nc(cc1)cc2c1[nH]c(S)n2

Property Name	Property Value
Mol Name	5-Amino-1H-Benzimidazole-2-Thiol
Molweight	165.22
Monoisotopic Mass	165.036067
Clogp	0.765
Clogs	-2.778
H Acceptors	3
H Donors	2
Total Surface Area	120.57
Relative Psa	0.52119
Polar Surface Area	93.5
Druglikeness	-2.9754
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Shape Index	0.63636
Molecular Complexity	0.70808
Fragments	1
Non H Atoms	11
Non Ch Atoms	4
Electronegative Atoms	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	1
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
Basic Nitrogens	1
Smiles	Nc(cc1)cc2c1[nH]c(S)n2
InChIKey	InChI=1S/C7H7N3S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2,(H2,9,10,11)
InChI	BXDMTLVCACMNJO-UHFFFAOYSA-N

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5-Amino-1H-Benzimidazole-2-Thiol