Tropolone tosylate

C₁₄H₁₂O₄SCAS 38768-08-0276.31 g/mol

Open in Covalent MOL file

Sulfonate ester

Properties

Molecular formula: C₁₄H₁₂O₄S
Molar mass: 276.31 g/mol
Exact mass: 276.0456 Da
logP: 2.12Crippen estimate
Polar surface area: 60.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage97.5% of notifiers
H317 May cause an allergic skin reaction97.5% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P342+P316, P362+P364, P363, P403, P405, P501

Identifiers

CAS number

38768-08-0

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=CC2=O

InChIKey

AWUMFQREGHLKJB-UHFFFAOYSA-N

InChI

InChI=1S/C14H12O4S/c1-11-7-9-12(10-8-11)19(16,17)18-14-6-4-2-3-5-13(14)15/h2-10H,1H3

Weigh it out

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Work with Tropolone tosylate

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

1,1′-(1S)-[1,1′-Binaphthalene]-2,2′-diyl bis(4-methylbenzenesulfonate)128544-06-956 % similar p-Toluenesulfonic anhydride4124-41-851 % similar Methyl p-toluenesulfonate80-48-849 % similar [Hydroxy(tosyloxy)iodo]benzene27126-76-748 % similar Ethylene glycol ditosylate6315-52-247 % similar 1,3-Propanediol ditosylate5469-66-945 % similar Ethyl p-toluenesulfonate80-40-045 % similar Benzyl-PEG5-ots129086-10-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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