Benzo[b]thiophene, 2-(octylthio)-
Basic information
- CAS
54965-34-3- Standard SMILES
CCCCCCCCSc1cc2ccccc2s1- InChIKey
SVYQKVUQBMHTMZ-UHFFFAOYSA-N- Molecular formula
- C16H22S2
- Average molar mass
- 278.5 g/mol
- Monoisotopic mass
- 278.11629305
Names & identifiers
- Preferred name
- Benzo[b]thiophene, 2-(octylthio)-
- IUPAC
- 2-octylsulfanyl-1-benzothiophene
- English name
- 2-(Octylthio)benzo[b]thiophene
- Molecular formula
- C16H22S2
- Molecular weight
- 278.48
Names & synonyms
Benzo[b]thiophene, 2-(octylthio)-2-(Octylthio)benzo[b]thiopheneSVYQKVUQBMHTMZ-UHFFFAOYSA-N2-(Octylsulfanyl)-1-benzothiophene #54965-34-3DB-312900
Database identifiers
- CAS
54965-34-3- PubChem CID
- 597335
- Nikkaji
- J109.726A
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 217
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Related reactions
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Compound notes
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