Chem Naphthalene 18 Dithiol Dsrpl

Compound 164
  CheckMol                        TMF02:r0:m0
MF=C10H8S2 MW=192.29
 12 13  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2860    0.7551   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2742    2.2652   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5720    0.0118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0354    3.0203   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5602    3.0203   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8580    0.7669   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3450    2.2888   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0472    4.5305   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8462    2.2770   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5484    4.5305   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2388    5.2855   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 01  0  1  0  0
  2  4 02  0  1  0  0
  3  5 02  0  1  0  0
  3  6 01  0  2  0  0
  4  7 01  0  1  0  0
  5  8  1  0  0  0  0
  5  9 01  0  1  0  0
  6 10 01  0  1  0  0
  6 11 02  0  1  0  0
  9 12 02  0  1  0  0
  7 10 02  0  1  0  0
 11 12 01  0  1  0  0
M  END

Naphthalene-1,8-dithiol

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Chemical Name - Naphthalene-1,8-dithiol
Mol Weight - 192.306
Smiles - Sc1c2c(S)cccc2ccc1

Property Name	Property Value
Mol Name	Naphthalene-1,8-dithiol
Molweight	192.306
Monoisotopic Mass	192.00674
Clogp	2.736
Clogs	-5.434
Total Surface Area	139.58
Relative Psa	0.32397
Polar Surface Area	77.6
Druglikeness	-4.5631
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5
Molecular Complexity	0.70078
Fragments	1
Non H Atoms	12
Non Ch Atoms	2
Electronegative Atoms	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3 Atoms	2
Symmetric Atoms	5
Smiles	Sc1c2c(S)cccc2ccc1
InChIKey	InChI=1S/C10H8S2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6,11-12H
InChI	GMHNWMFGZBBHPP-UHFFFAOYSA-N

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Naphthalene-1,8-dithiol