Basic information
- CAS
19093-37-9- Standard SMILES
C=CCS(=O)c1ccccc1- InChIKey
RLLJHMBTZSGFAS-UHFFFAOYSA-N- Molecular formula
- C9H10OS
- Average molar mass
- 166.24 g/mol
- Monoisotopic mass
- 166.04523611
Names & identifiers
- Preferred name
- (Allylsulphinyl)benzene
- IUPAC
- prop-2-enylsulfinylbenzene
- English name
- Allyl phenyl sulfoxide
- Molecular formula
- C9H10OS
- Molecular weight
- 166.24
Names & synonyms
ALLYL PHENYL SULFOXIDE19093-37-9(Allylsulphinyl)benzeneEINECS 242-811-4RefChem:405668242-811-4prop-2-enylsulfinylbenzene(allylsulfinyl)benzeneBenzene, (2-propen-1-ylsulfinyl)-(prop-2-ene-1-sulfinyl)benzeneallylsulfinylbenzeneSCHEMBL88855
Show more names
Phenyl allyl sulfoxide(2-Propenylsulfinyl)benzenePhenyl (2-propenyl) sulfoxideALLYL PHENYL SULFOXIDE, TECH.
SCHEMBL10400626SCHEMBL10688038SCHEMBL10688042DTXSID70940681RLLJHMBTZSGFAS-UHFFFAOYSA-NAKOS006273770DB-243023NS00048260
Database identifiers
- CAS
19093-37-9- PubChem CID
- 87928
- DTXSID
DTXSID70940681- EC Number
- 242-811-4
- Nikkaji
- J224.855G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 148
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfur Compounds
Physical DescriptionClear brown-yellow liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Boiling point
- 85 °C0.3 · 85 °C0.3 mm Hg(lit.)
- Density
- 1.122 g/mL · 1.122 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.578
- solubility
- sparingly soluble hexane; sol most other organic solvents
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21
- Safety Statements
- 23 · 23-36/37
- WGK Germany
- 3 · 3
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
- wgk
- 3
- risk_code
- 20/21
- hazard_code
- Xn
- safety_code
- 23-36/37
Chemistry & industry
Applications
UsesAllyl Phenyl Sulfoxide is use in: allylic sulfoxides undergo allylic rearrangement to form sulfenate esters, allowing the generation of allylic alcohols; metalated derivatives serve as ambident nucleophiles; precursors to Pummerer intermediates.
Upstream & downstream products
Downstream products
Suppliers4 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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