4-Isothiocyanatophenyl ��ther
  -molcms-06122617092D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.7321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3301   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0622   -0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301   -0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  2  0  0  0  0
  2 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <ProductName>
4-Isothiocyanatophenyl ��ther

>  <CASNumber>
10396-05-1

>  <MolecularFormula>
C14H8N2OS2

>  <MDLNo>
MFCD01310824

>  <MolWt>
284.36

>  <BoilingPoint>
441��C at 760 mmHg

>  <MeltingPoint>
66-68��C

>  <MolFile>


>  <Smiles>
C1=C(C=CC(=C1)OC2=CC=C(C=C2)N=C=S)N=C=S

$$$$