4,6-Diphenylthieno[3,4-d]-1,3-dioxol-2-one 5,5-dioxide

C₁₇H₁₀O₅SCAS 54714-11-3326.32 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₇H₁₀O₅S
Molar mass: 326.32 g/mol
Exact mass: 326.0249 Da
logP: 0.97Crippen estimate
Polar surface area: 77.5 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 2

Identifiers

CAS number

54714-11-3

SMILES

O=c1oc2c(o1)=C(c1ccccc1)S(=O)(=O)C=2c1ccccc1

InChIKey

UEOYFCIGZWQXTP-UHFFFAOYSA-N

InChI

InChI=1S/C17H10O5S/c18-17-21-13-14(22-17)16(12-9-5-2-6-10-12)23(19,20)15(13)11-7-3-1-4-8-11/h1-10H

Weigh it out

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

Names and synonyms

4 names

Thieno[3,4-D]-1,3-dioxol-2-one, 4,6-diphenyl-, 5,5-dioxide
Steglich's reagent
Steglich base
Reagents, steglich's

Work with 4,6-Diphenylthieno[3,4-d]-1,3-dioxol-2-one 5,5-dioxide

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

4,5-Diphenyl-1,3-dioxol-2-one21240-34-641 % similar 1,4-Dibenzoylbenzene3016-97-531 % similar Tetraphenylethylene632-51-931 % similar Benzoyl bromide618-32-630 % similar 1-Phenyl-2-(phenylsulfonyl)ethanone3406-03-930 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook