Marvin  11070609352D          

  9 10  0  0  0  0            999 V2000
   -0.5536   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5536    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2680    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2680   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1609   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1609    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9455   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4304    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9455    0.6674    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  4  1  0  0  0  0
  6  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  7  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9  8  1  0  0  0  0
M  END
> <ID>
CHEBI:35858

> <NAME>
1-benzothiophene

> <STAR>
3

> <SYNONYM>
thianaphthene; benzothiofuran; benzo[b]thiophene; 1-thiaindene

> <IUPAC_NAME>
1-benzothiophene

> <FORMULA>
C8H6S

> <MASS>
134.19924

> <MONOISOTOPIC_MASS>
134.01902

> <CHARGE>
0

> <SMILES>
c1ccc2sccc2c1

> <INCHI>
InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H

> <INCHIKEY>
FCEHBMOGCRZNNI-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
80580

> <CAS_REGISTRY_NUMBER>
95-15-8

> <GMELIN_REGISTRY_NUMBER>
142782

> <CHEMIDPLUS>
95-15-8

> <NIST_CHEMISTRY_WEBBOOK>
95-15-8

$$$$