Chem 45 Diphenyl 2 Imidazolethiol Dsrpl

Compound 346
  CheckMol                        TMF02:r0:m0
MF=C15H12N2S MW=252.33
 18 20  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4857   -0.1426   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.4841    0.9865   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.2226   -1.4381   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.8509    0.3803   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.6845   -1.1172   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1464    1.1410   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.7898   -2.1156   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4419    0.3922   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1345    2.6623   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.4689   -3.5775   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.2161   -1.6402   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7374    1.1529   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4300    3.4230   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.5743   -4.5759   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.3214   -2.6386   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7256    2.6742   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.0005   -4.1005   -0.0000 C   0 00  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  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9 02  0  1  0  0
  7 10 01  0  1  0  0
  8 11 02  0  1  0  0
  8 12 01  0  1  0  0
  9 13 01  0  1  0  0
 10 14 02  0  1  0  0
 11 15 01  0  1  0  0
 12 16 02  0  1  0  0
 13 17 02  0  1  0  0
 15 18 02  0  1  0  0
  5  6 02  0  1  0  0
 14 17 01  0  1  0  0
 16 18 01  0  1  0  0
M  END

4,5-Diphenyl-2-imidazolethiol

₹ 0.00 0.00

Chemical Name - 4,5-Diphenyl-2-imidazolethiol
Mol Weight - 252.34
Smiles - Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

Property Name	Property Value
Mol Name	4,5-Diphenyl-2-imidazolethiol
Molweight	252.34
Monoisotopic Mass	252.072118
Clogp	3.5033
Clogs	-4.862
H Acceptors	2
H Donors	1
Total Surface Area	196.97
Relative Psa	0.24151
Polar Surface Area	67.48
Druglikeness	-1.5019
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.55556
Molecular Flexibility	0.36033
Molecular Complexity	0.72768
Fragments	1
Non H Atoms	18
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	2
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3 Atoms	1
Symmetric Atoms	4
Aromatic Nitrogens	2
Basic Nitrogens	1
Smiles	Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIKey	InChI=1S/C15H12N2S/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18)
InChI	GMTAWLUJHGIUPU-UHFFFAOYSA-N

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2 - 4,5-Diphenyl-2-imidazolethiol

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4,5-Diphenyl-2-imidazolethiol