Benzyl ethyl sulfone
Basic information
- CAS
772-47-4- Standard SMILES
CCS(=O)(=O)Cc1ccccc1- InChIKey
RLVXXYWTYPOVND-UHFFFAOYSA-N- Molecular formula
- C9H12O2S
- Average molar mass
- 184.26 g/mol
- Monoisotopic mass
- 184.05580079
Names & identifiers
- Preferred name
- Benzyl ethyl sulfone
- IUPAC
- ethylsulfonylmethylbenzene
- English name
- ethylsulfonylmethylbenzene
- Molecular formula
- C9H12O2S
- Molecular weight
- 184.26
Names & synonyms
772-47-4benzyl ethyl sulfoneDTXSID50289888RefChem:328658DTXCID20241034[(ethanesulfonyl)methyl]benzeneethylsulfonylmethylbenzeneMFCD00830724NSC65082Maybridge3_003271NCIOpen2_000441SCHEMBL383659
Show more names
Benzene, [(ethylsulfonyl)methyl]-
SCHEMBL776398[(ethylsulfonyl)methyl]benzeneorb3031372SCHEMBL1987184SCHEMBL4780708SCHEMBL10675096SCHEMBL10689743HMS1440E15
Database identifiers
- CAS
772-47-4- PubChem CID
- 248355
- DTXSID
DTXSID50289888- Nikkaji
- J731.264D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- HS Code
- 2930909899 · 2930909899
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
- hs_code
- 2930909899
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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