2,3-Dihydrobenzo(b)thiophene
Basic information
- CAS
4565-32-6- Standard SMILES
c1ccc2c(c1)CCS2- InChIKey
YJUFGFXVASPYFQ-UHFFFAOYSA-N- Molecular formula
- C8H8S
- Average molar mass
- 136.22 g/mol
- Monoisotopic mass
- 136.03467143
Names & identifiers
- Preferred name
- 2,3-Dihydrobenzo(b)thiophene
- IUPAC
- 2,3-dihydro-1-benzothiophene
- English name
- 2,3-Dihydrobenzo[b]thiophene
- Molecular formula
- C8H8S
- Molecular weight
- 136.21
Names & synonyms
2,3-Dihydrobenzo[b]thiophene4565-32-62,3-Dihydrobenzo(b)thiopheneRefChem:10593852,3-DihydrobenzothiopheneBenzothiophane2,3-Dihydro-1-benzothiopheneDihydrobenzothiopheneBenzo[b]thiophene, 2,3-dihydro-Benzo(b)thiophene, 2,3-dihydro-1-Thiaindan2,3-dihydro-benzo[b]thiophene
Show more names
137597-56-91,3-DihydrobenzothiopheneSCHEMBL2928SCHEMBL89972,3-dihydrobenzo(b)thiophenSCHEMBL240717SCHEMBL328767SCHEMBL366355
Database identifiers
- CAS
4565-32-6- PubChem CID
- 78319
- DTXSID
DTXSID30963412- Nikkaji
- J101.209F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Melting point
- 86.5 · 86.5-87 °C
- Boiling point
- 233.3 · 233.3-234.5 °C(Press: 765 Torr)
- Density
- 1.1125 g/cm3 · 1.1125 g/cm3
- Comptox DTXSID
- 30963412 · DTXSID30963412
Related reactions
13 records
Compound notes
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