Methyl phenyl sulfoxide

C7H8OSCAS 1193-82-4140.20 g/mol

Open in Covalent MOL file
SO
Sulfoxide

Properties

Molecular formula
C7H8OS
Molar mass
140.20 g/mol
Exact mass
140.0296 Da
Melting point
32 °C
Boiling point
263.5 °C
logP
1.42Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 39 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1193-82-4
SMILES
CS(=O)c1ccccc1
InChIKey
JXTGICXCHWMCPM-UHFFFAOYSA-N
InChI
InChI=1S/C7H8OS/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3

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Names and synonyms

11 names
  • Benzene, (methylsulfinyl)-
  • Sulfoxide, methyl phenyl
  • (Methylsulfinyl)benzene
  • Phenyl methyl sulfoxide
  • Thioanisole S-oxide
  • Thioanisol sulfoxide
  • (±)-Methyl phenyl sulfoxide
  • (±)-(Methylsulfinyl)benzene
  • (RS)-Methyl phenyl sulfoxide
  • (±)-Phenyl methyl sulfoxide
  • NSC 203014

Reactions

Work with Methyl phenyl sulfoxide

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(Methanesulfinyl)benzeneboronic acid166386-48-750 % similar Diphenyl sulfoxide945-51-750 % similar Zinc benzenesulfinate24308-84-744 % similar Methyl benzenesulfinate670-98-444 % similar Sodium benzenesulfinate873-55-244 % similar Fensulfothion115-90-241 % similar Benzenesulfinic acid sodium salt dihydrate25932-11-040 % similar Dibenzyl sulfoxide621-08-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Methylthio)phenol1073-29-6 4-(Methylthio)phenol1073-72-9 2-Acetyl-3-methylthiophene13679-72-6 2-Acetyl-4-methylthiophene13679-73-7 2-Acetyl-5-methylthiophene13679-74-8 1-(2-Thienyl)-1-propanone13679-75-9 3-Methoxybenzenethiol15570-12-4 2,5-Dimethylthiophene-3-carbaldehyde26421-44-3

Elsewhere

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