(2-Propen-1-ylsulfonyl)benzene

C9H10O2SCAS 16212-05-8182.24 g/mol

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AlkeneSulfone

Properties

Molecular formula
C9H10O2S
Molar mass
182.24 g/mol
Exact mass
182.0402 Da
Density
1.1844 g/mL (at 25 °C)
Boiling point
110–113 °C (at 0.5 Torr)
logP
1.65Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
16212-05-8
SMILES
C=CCS(=O)(=O)c1ccccc1
InChIKey
KYPIULIVYSQNNT-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h2-7H,1,8H2

Weigh it out

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

Names and synonyms

10 names
  • Benzene, (2-propen-1-ylsulfonyl)-
  • Sulfone, allyl phenyl
  • Benzene, (2-propenylsulfonyl)-
  • Phenyl allyl sulfone
  • Allyl phenyl sulfone
  • (2-Propenylsulfonyl)benzene
  • NSC 221230
  • Phenyl 2-propenyl sulfone
  • (Allylsulfonyl)benzene
  • (Prop-2-ene-1-sulfonyl)benzene

Work with (2-Propen-1-ylsulfonyl)benzene

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

Bis(phenylsulfonyl)methane3406-02-856 % similar Fluoromethyl phenyl sulfone20808-12-250 % similar [(Phenylmethyl)sulfonyl]benzene3112-88-750 % similar Phenyl vinyl sulfone5535-48-850 % similar (Ethylsulphonyl)benzene599-70-250 % similar ((Chloromethyl)sulphonyl)benzene7205-98-350 % similar (Phenylsulfonyl)acetonitrile7605-28-947 % similar ((2-Chloroethyl)sulphonyl)benzene938-09-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-((Phenylmethyl)thio)acetic acid103-46-8 4-(Methylthio)benzeneacetic acid16188-55-9 Methyl 2-(phenylthio)acetate17277-58-6 o-(Methylthio)benzoic acid methyl ester3704-28-7 2-[(4-Methylphenyl)sulfanyl]acetic acid3996-29-0 4,5,6,7-Tetrahydrobenzo[b]thiophene-2-carboxylic acid40133-07-1

Elsewhere

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