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thianaphthene
Sign in to saveAlso known as benzothiofuran, 1-thiaindene, benzo[b]thiophene
Benzothiophene is an aromatic organic compound with a molecular formula C8H6S and an odor similar to naphthalene (mothballs). It occurs naturally as a constituent of petroleum-related deposits such as lignite tar. Benzothiophene has no household use. In addition to benzo[b]thiophene, a second isomer is known: [[Benzo(c)thiophene|benzo[c]thiophene]].
Chemical data
- Formula
- C8H6S
- Molecular weight
- 134.2 g/mol
- IUPAC name
- 1-benzothiophene
- SMILES
- C1=CC=C2C(=C1)C=CS2
- InChIKey
- FCEHBMOGCRZNNI-UHFFFAOYSA-N
- XLogP
- 3.1
- Polar surface area
- 28.2 Ų
- H-bond donors
- 0
- H-bond acceptors
- 1
- Formal charge
- 0
via PubChem
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Encyclopedic overview
2 sectionsContents
- Synthesis
- References
Benzothiophene is an aromatic organic compound with a molecular formula C8H6S and an odor similar to naphthalene (mothballs). It occurs naturally as a constituent of petroleum-related deposits such as lignite tar. Benzothiophene has no household use. In addition to benzo[b]thiophene, a second isomer is known: [[Benzo(c)thiophene|benzo[c]thiophene]].
Benzothiophene finds use in research as a starting material for the synthesis of larger, usually bioactive structures. It is found within the chemical structures of pharmaceutical drugs such as raloxifene, zileuton, and sertaconazole, and also BTCP. It is also used in the manufacturing of dyes such as thioindigo.
Excerpted from Wikipedia’s “thianaphthene” article, available under the CC BY-SA 4.0 licence.