2,3-Dihydrothieno(3,4-b)(1,4)dioxine-5-carbaldehyde

C₇H₆O₃SCAS 204905-77-1170.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆O₃S
Molar mass: 170.18 g/mol
Exact mass: 170.0038 Da
logP: 1.33Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

204905-77-1

SMILES

C1COC2=C(SC=C2O1)C=O

InChIKey

GNVXYRDVJKJZTO-UHFFFAOYSA-N

InChI

InChI=1S/C7H6O3S/c8-3-6-7-5(4-11-6)9-1-2-10-7/h3-4H,1-2H2

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Names and synonyms

1 names

2,3-Dihydrothieno[3,4-B][1,4]dioxine-5-carbaldehyde

Work with 2,3-Dihydrothieno(3,4-b)(1,4)dioxine-5-carbaldehyde

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

7-Bromo-2,3-dihydrothieno[3,4-B][1,4]dioxine-5-carboxaldehyde 97852054-42-349 % similar 1,4-Benzodioxan-6-carboxaldehyde29668-44-839 % similar 3-Methoxythiophene-2-carbaldehyde35134-07-738 % similar 3,4-Ethylenedioxythiophene126213-50-137 % similar 2-Ethoxy-3-methoxybenzaldehyde66799-97-135 % similar 3-Methyl-2-thiophenecarboxaldehyde5834-16-233 % similar 2-Ethoxybenzaldehyde613-69-433 % similar 3-Ethoxy-4-methoxybenzaldehyde1131-52-833 % similar

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

Same formula

5-Acetyl-2-thiophenecarboxylic acid4066-41-5 Methyl 5-formylthiophene-2-carboxylate67808-64-4 Methyl 5-formylthiophene-3-carboxylate67808-66-6

Elsewhere

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