Mol:PR101036

 
  ACD/Labs04270909162D 
 
 12 11  0  0  0  0  0  0  0  0  1 V2000 
    4.7805   -4.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6132   -5.3614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4458   -4.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.2784   -5.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.1111   -4.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9437   -5.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7763   -4.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6090   -5.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.4416   -4.8807    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
   12.2742   -5.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.4416   -3.9192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9479   -4.4000    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  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  1 12  2  0  0  0  0 
S  SKP  7 
CAS_RN	4430-35-7 
NAME	1-Isothiocyanato-6-(methylsulfinyl)-hexane 
ID	PR101036 
FORMULA	C8H15NOS2 
EXACTMASS	205.059505487 
AVERAGEMASS	205.34284000000002 
SMILES	S=C=NCCCCCCS(C)=O 
M  END