5-Bromobenzo[b]thiophen-3(2H)-one 1,1-Dioxide
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Basic information
- CAS
250736-42-6- Standard SMILES
O=C1CS(=O)(=O)c2ccc(Br)cc21- InChIKey
OSCAROHQYYOTHG-UHFFFAOYSA-N- Molecular formula
- C8H5BrO3S
- Average molar mass
- 261.09 g/mol
- Monoisotopic mass
- 259.91428
Names & identifiers
- Preferred name
- 5-Bromobenzo[b]thiophen-3(2H)-one 1,1-Dioxide
- IUPAC
- 5-bromo-1,1-dioxo-1-benzothiophen-3-one
- English name
- 5-bromobenzo[b]thiophen-3(2H)-one 1,1-dioxide
- Molecular formula
- C8H5BrO3S
- Molecular weight
- 261.09
Names & synonyms
5-Bromobenzo[b]thiophen-3(2H)-one 1,1-Dioxide250736-42-6MFCD316530945-bromo-2,3-dihydro-1lambda6-benzothiophene-1,1,3-trione5-bromo-1,1-dioxo-1-benzothiophen-3-one5-bromo-2,3-dihydro-1??-benzothiophene-1,1,3-trioneSCHEMBL16097542OSCAROHQYYOTHG-UHFFFAOYSA-NDTXSID701231902AKA73642AC2055AKOS037646107
Show more names
Benzo[b]thiophen-3(2H)-one, 5-bromo-, 1,1-dioxide5-bromo-2,3-dihydro-1-benzothiophene-1,1,3-trione
5-bromo-1,1-dioxo-benzothiophen-3-oneAS-66564SY226108CS-03431395-bromobenzo[b]thiophen-3(2H)-one-1,1-dioxide5-Bromobenzo[b]thiophen-3(2H)-one1,1-DioxideEN300-17169235-Bromo-1H-1-benzothiophene-1,1,3(2H)-trione
Database identifiers
- CAS
250736-42-6- PubChem CID
- 90458902
- DTXSID
DTXSID701231902
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Boiling point
- 472.4 · 472.4±45.0 °C(Predicted)
- Density
- 1.894 · 1.894±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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