3,4-Ethylenedioxythiophene

C₆H₆O₂SCAS 126213-50-1142.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₆O₂S
Molar mass: 142.17 g/mol
Exact mass: 142.0089 Da
logP: 1.52Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H311 Toxic in contact with skin74.1% of notifiers
H312 Harmful in contact with skin24.1% of notifiers
H319 Causes serious eye irritation75.9% of notifiers
H412 Harmful to aquatic life with long lasting effects25.9% of notifiers

Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P262, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P316, P317, P321, P330, P337+P317, P361+P364, P362+P364, P405, P501

Identifiers

CAS number

126213-50-1

SMILES

c1scc2c1OCCO2

InChIKey

GKWLILHTTGWKLQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H6O2S/c1-2-8-6-4-9-3-5(6)7-1/h3-4H,1-2H2

Weigh it out

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

Names and synonyms

8 names

Thieno[3,4-b]-1,4-dioxin, 2,3-dihydro-
2,3-Dihydrothieno[3,4-b]-1,4-dioxin
3,4-Ethyleneoxythiophene
EDOT
3,4-Ethylenedioxythiopene
K 192
2,3-Dihydrothieno[3,4-b][1,4]dioxine
2H,3H-Thieno[3,4-b][1,4]dioxine

Work with 3,4-Ethylenedioxythiophene

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

Benzodioxan493-09-445 % similar 3,4-Dimethoxythiophene51792-34-843 % similar 2,3-Dihydrothieno(3,4-b)-1,4-dioxin-2-methanol146796-02-341 % similar Benzo-18-crown-614098-24-939 % similar Benzo-15-crown-514098-44-339 % similar Benzo-12-crown-414174-08-439 % similar Dibenzo-24-crown-814174-09-539 % similar Dibenzo-18-crown-614187-32-739 % similar

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

Same formula

Methyl 2-thiofuroate13679-61-3 4-Methyl-2-thiophenecarboxylic acid14282-78-1 Thiophene-2-acetic acid1918-77-0 5-Methyl-2-thiophenecarboxylic acid1918-79-2 Methyl 3-thiophenecarboxylate22913-26-4 3-Methyl-2-thiophenecarboxylic acid23806-24-8 3-Methoxythiophene-2-carbaldehyde35134-07-7 Methyl thenoate5380-42-7

Elsewhere

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