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Benzo(c)thiophene

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Chemical compound The correct title of this article is Benzothiophene. The substitution of any brackets is due to technical restrictions.
Benzothiophene
Skeletal formula
Ball-and-stick model
Names
Preferred IUPAC name 2-Benzothiophene
Other names Isobenzothiophene
Identifiers
CAS Number
3D model (JSmol)
Beilstein Reference 1280862
ChEBI
ChemSpider
PubChem CID
UNII
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C8H6S/c1-2-4-8-6-9-5-7(8)3-1/h1-6HKey: LYTMVABTDYMBQK-UHFFFAOYSA-N
  • InChI=1/C8H6S/c1-2-4-8-6-9-5-7(8)3-1/h1-6HKey: LYTMVABTDYMBQK-UHFFFAOYAW
SMILES
  • s2cc1ccccc1c2
Properties
Chemical formula C8H6S
Molar mass 134.1982
Density 1.187 g/cm
Hazards
Flash point 66.8 °C (152.2 °F; 339.9 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Chemical compound

Benzothiophene is an organic compound with the chemical formula C8H6S.

The similarly named Benzothiophene is an isomer with the sulfur in the position adjacent to the benzene ring. Benzothiophene is more stable and far more commonly encountered.

References

  1. Cava, Michael P.; Lakshmikantham, M. V. (1975). "Nonclassical Condensed Thiophenes". Accounts of Chemical Research. 8 (4): 139–44. doi:10.1021/ar50088a005.
Simple aromatic rings
1 ring
Three-membered
Five-membered
Six-membered
Seven-membered
Nine-membered
18-membered
2 rings
Five + Five
Five + Six
Six + Six
Five + Seven


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