1,1′-(1S)-[1,1′-Binaphthalene]-2,2′-diyl bis(4-methylbenzenesulfonate)

C34H26O6S2CAS 128544-06-9594.70 g/mol

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Sulfonate ester

Properties

Molecular formula
C34H26O6S2
Molar mass
594.70 g/mol
Exact mass
594.1171 Da
logP
7.81Crippen estimate
Polar surface area
86.7 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
7

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
128544-06-9
SMILES
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2-c2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc23)cc1
InChIKey
BKYJBVWKVKRIDN-UHFFFAOYSA-N
InChI
InChI=1S/C34H26O6S2/c1-23-11-17-27(18-12-23)41(35,36)39-31-21-15-25-7-3-5-9-29(25)33(31)34-30-10-6-4-8-26(30)16-22-32(34)40-42(37,38)28-19-13-24(2)14-20-28/h3-22H,1-2H3

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Names and synonyms

2 names
  • [1,1′-Binaphthalene]-2,2′-diol, 2,2′-bis(4-methylbenzenesulfonate), (1S)-
  • [1,1′-Binaphthalene]-2,2′-diol, bis(4-methylbenzenesulfonate), (S)-

Work with 1,1′-(1S)-[1,1′-Binaphthalene]-2,2′-diyl bis(4-methylbenzenesulfonate)

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

Tropolone tosylate38768-08-056 % similar (R)-2,2′-Bis(trifluoromethanesulfonyloxy)-1,1′-binaphthyl126613-06-749 % similar (S)-BINOL bis(triflate)128544-05-849 % similar 2,2′-Bis(trifluoromethanesulfonyloxy)-1,1′-binaphthyl128575-34-849 % similar p-Toluenesulfonic anhydride4124-41-847 % similar 2,2'-Dimethoxy-1,1'-binaphthyl35294-28-145 % similar (S)-(-)-2,2'-Dimethoxy-1,1'-binaphthalene75640-87-845 % similar (R)-(+)-2,2'-Dimethoxy-1,1'-binaphthyl75685-01-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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