Actinoquinol

C₁₁H₁₁NO₄SCAS 15301-40-3253.27 g/mol

Open in Covalent MOL file

Ether Sulfonic acid

Properties

Molecular formula: C₁₁H₁₁NO₄S
Molar mass: 253.27 g/mol
Exact mass: 253.0409 Da
Melting point: 286 °C (decomposes)
logP: 1.88Crippen estimate
Polar surface area: 76.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

15301-40-3

SMILES

CCOc1ccc(S(=O)(=O)O)c2cccnc12

InChIKey

YAMVZYRZAMBCED-UHFFFAOYSA-N

InChI

InChI=1S/C11H11NO4S/c1-2-16-9-5-6-10(17(13,14)15)8-4-3-7-12-11(8)9/h3-7H,2H2,1H3,(H,13,14,15)

Weigh it out

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

Names and synonyms

3 names

5-Quinolinesulfonic acid, 8-ethoxy-
8-Ethoxy-5-quinolinesulfonic acid
NSC 165584

Work with Actinoquinol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

8-Ethoxy-5-quinolinesulfonic acid sodium salt7246-07-3Salt

Similar compounds

8-Hydroxyquinoline-5-sulfonic acid84-88-858 % similar 8-Hydroxyquinoline-5-sulfonic acid monohydrate283158-18-954 % similar Ferron547-91-146 % similar 8-Quinolinesulfonic acid85-48-346 % similar Armstrong's acid81-04-940 % similar 3-Ethoxy-2-nitropyridine74037-50-638 % similar 1-Naphthol-4-sulfonic acid84-87-738 % similar Naphthalene-1,5-disulfonic acid tetrahydrate211366-30-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate205873-28-5 N-Methyl J acid22346-43-6 Woodward's reagent K4156-16-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia