2-Propyldibenzothiophene
Basic information
- CAS
147792-30-1- Standard SMILES
CCCc1ccc2sc3ccccc3c2c1- InChIKey
YZWKFCFQDAGRAY-UHFFFAOYSA-N- Molecular formula
- C15H14S
- Average molar mass
- 226.3 g/mol
- Monoisotopic mass
- 226.08162162
Names & identifiers
- Preferred name
- 2-Propyldibenzothiophene
- IUPAC
- 2-propyldibenzothiophene
- English name
- 2-Propyldibenzothiophene
- Molecular formula
- C15H14S
- Molecular weight
- 226.34
Names & synonyms
2-PROPYLDIBENZOTHIOPHENE147792-30-1Dibenzothiophene, 2-propyl-2-n-Propyldibenzothiophene2-Propyldibenzo[b,d]thiopheneSCHEMBL14797638DTXSID6070338312-propyl-8-thiatricyclo[7.4.0.0?,?]trideca-1(9),2,4,6,10,12-hexaene2-n-Propyldibenzothiophene in isooctane
Database identifiers
- CAS
147792-30-1- PubChem CID
- 53447014
- DTXSID
DTXSID60703383- Nikkaji
- J571.231I
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 371.8 · 371.8±11.0 °C(Predicted)
- Density
- 1.152 · 1.152±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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