3-Acetylaminodibenzothiophene-5-oxide
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Basic information
- CAS
63020-21-3- Standard SMILES
CC(=O)Nc1ccc2c(c1)S(=O)c1ccccc1-2- InChIKey
YWILOBPANZQBKI-UHFFFAOYSA-N- Molecular formula
- C14H11NO2S
- Average molar mass
- 257.31 g/mol
- Monoisotopic mass
- 257.05104977
Names & identifiers
- Preferred name
- 3-Acetylaminodibenzothiophene-5-oxide
- IUPAC
- N-(5-oxodibenzothiophen-3-yl)acetamide
- English name
- 3-Acetylaminodibenzothiophene 5-oxide
- Molecular formula
- C14H11NO2S
- Molecular weight
- 257.31
Names & synonyms
63020-21-33-Acetylaminodibenzothiophene 5-oxide3-Acetylaminodibenzothiophene-5-oxide3-Acetamidodibenzthiophene oxideN-3-Dibenzothienylacetamide 5-oxideBRN 0016835Acetamide, N-3-dibenzothienyl-, 5-oxideDTXSID70978924DB-315083N-(5-Oxo-5H-5lambda~4~-dibenzo[b,d]thiophen-3-yl)ethanimidic acidAcetamide, N-(5-oxido-3-dibenzothienyl)-
Database identifiers
- CAS
63020-21-3- PubChem CID
- 5485908
- DTXSID
DTXSID70978924- Nikkaji
- J74.860I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Boiling point
- 567.7 · 567.7±29.0 °C(Predicted)
- Density
- 1.2523 · 1.2523 (rough estimate)
- refractive index
- 1.75 · 1.7500 (estimate)
- pka
- 14.18 · 14.18±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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