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

C17H10O5SCAS 54714-11-3326.32 g/mol

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Sulfone

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 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
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

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Names and synonyms

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

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 Pyrocatechol carbonate2171-74-640 % similar Thiobenzoic acid98-91-933 % similar Benzophenone119-61-932 % similar Benzil134-81-632 % similar 1,4-Dibenzoylbenzene3016-97-531 % similar 1,4-Bis(phenylglyoxaloyl)benzene3363-97-131 % similar Tetraphenylethylene632-51-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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