chempirical

Phenyl methanesulfonate

C7H8O3SCAS 16156-59-5172.20 g/mol

Open in Covalent MOL file
SOOO
Sulfonate ester

Properties

Molecular formula
C7H8O3S
Molar mass
172.20 g/mol
Exact mass
172.0194 Da
Melting point
61.5 °C
logP
1.02Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
16156-59-5
SMILES
CS(=O)(=O)Oc1ccccc1
InChIKey
WXVUCMFEGJUVTN-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O3S/c1-11(8,9)10-7-5-3-2-4-6-7/h2-6H,1H3

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

Names and synonyms

4 names
  • Methanesulfonic acid, phenyl ester
  • Phenyl mesylate
  • NSC 243664
  • Phenoxy methyl sulfone

Work with Phenyl methanesulfonate

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

Phenyl 2-aminobenzenesulfonate68227-69-041 % similar 1-(Diphenylmethyl)-3-[(methylsulfonyl)oxy]azetidine33301-41-639 % similar Phenyl formate1864-94-439 % similar Methyl phenyl sulfone3112-85-439 % similar Anisole100-66-338 % similar Diphenyl ether101-84-838 % similar Methanesulfonic anhydride7143-01-338 % similar 1,4-Diphenoxybenzene3061-36-736 % similar

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

Same formula

P-Toluenesulfonic acid104-15-4 2,3-Dihydrothieno(3,4-b)-1,4-dioxin-2-methanol146796-02-3 4-(Methylsulfonyl)phenol14763-60-1 Methyl benzenesulfonate80-18-2

Elsewhere

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