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

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

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

Weigh it out

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

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 1-(tert-Butoxycarbonyl)-3-(methanesulfonyloxy)azetidine141699-58-338 % similar (R,R)-1,2-Bis(methanesulfonyloxymethyl)cyclohexane186204-35-338 % similar 1-((Benzyloxy)carbonyl)piperidin-4-yl methanesulfonate199103-19-037 % similar Methanesulfonic anhydride7143-01-336 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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