Tetrahydro-2H-pyran-4-yl methanesulfonate

C₆H₁₂O₄SCAS 134419-59-3180.22 g/mol

Open in Covalent MOL file

Ether Sulfonate ester

Properties

Molecular formula: C₆H₁₂O₄S
Molar mass: 180.22 g/mol
Exact mass: 180.0456 Da
logP: 0.14Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

134419-59-3

SMILES

CS(=O)(=O)OC1CCOCC1

InChIKey

GSEZHCLWHDZJAB-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O4S/c1-11(7,8)10-6-2-4-9-5-3-6/h6H,2-5H2,1H3

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Names and synonyms

1 names

Oxan-4-yl methanesulfonate

Work with Tetrahydro-2H-pyran-4-yl 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

Isopropyl methanesulfonate926-06-744 % similar 4-[(Methylsulfonyl)oxy]piperidine-1-carboxylic acid tert-butyl ester141699-59-443 % similar Busulfan55-98-139 % similar 1-(Diphenylmethyl)-3-[(methylsulfonyl)oxy]azetidine33301-41-638 % similar Methanesulfonic anhydride7143-01-336 % similar Ethyl methanesulfonate62-50-034 % similar Butyl methanesulfonate1912-32-934 % similar Diisoamyl ether544-01-433 % similar

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

Elsewhere

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