Phenyl vinyl sulfone

C₈H₈O₂SCAS 5535-48-8168.21 g/mol

Open in Covalent MOL file

Alkene Sulfone

Properties

Molecular formula: C₈H₈O₂S
Molar mass: 168.21 g/mol
Exact mass: 168.0245 Da
Melting point: 68 °C
logP: 1.60Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed83.3% of notifiers
H315 Causes skin irritation97.9% of notifiers
H317 May cause an allergic skin reaction91.7% of notifiers
H318 Causes serious eye damage81.2% of notifiers
H319 Causes serious eye irritation16.7% of notifiers
H335 May cause respiratory irritation95.8% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5535-48-8

SMILES

C=CS(=O)(=O)c1ccccc1

InChIKey

UJTPZISIAWDGFF-UHFFFAOYSA-N

InChI

InChI=1S/C8H8O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

Benzene, (ethenylsulfonyl)-
Sulfone, phenyl vinyl
(Ethenylsulfonyl)benzene
URI 744
NSC 35394
Ethenyl phenyl sulfone
Vinylsulfonylbenzene
(Ethenesulfonyl)benzene

Reactions

PHENYL VINYL SULFONE AND SULFOXIDE (Benzene, (ethenylsulfonyl)- and benzene, (ethenylsulfiny)-)product

Work with Phenyl vinyl sulfone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Vinylsulfonylbenzoic acid95535-40-352 % similar (2-Propen-1-ylsulfonyl)benzene16212-05-850 % similar Bis(phenylsulfonyl)methane3406-02-844 % similar Diphenyl sulfone127-63-944 % similar Fluoromethyl phenyl sulfone20808-12-240 % similar [(Phenylmethyl)sulfonyl]benzene3112-88-740 % similar (Ethylsulphonyl)benzene599-70-240 % similar ((Chloromethyl)sulphonyl)benzene7205-98-340 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(Phenylthio)acetic acid103-04-8 4-(Methylthio)benzoic acid13205-48-6 2-(Methylthio)benzoic acid3724-10-5 4-Mercaptophenylacetic acid39161-84-7 Methyl thiosalicylate4892-02-8 3-(Methylthio)benzoic acid825-99-0

Elsewhere

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