Propane-1,2-diyl bis(4-methylbenzene-1-sulfonate)

C₁₇H₂₀O₆S₂CAS 60434-71-1384.46 g/mol

Open in Covalent MOL file

Sulfonate ester

Properties

Molecular formula: C₁₇H₂₀O₆S₂
Molar mass: 384.46 g/mol
Exact mass: 384.0701 Da
logP: 2.80Crippen estimate
Polar surface area: 86.7 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 7

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

60434-71-1

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)OS(=O)(=O)C2=CC=C(C=C2)C

InChIKey

QSFWYZTZYVIPGD-UHFFFAOYSA-N

InChI

InChI=1S/C17H20O6S2/c1-13-4-8-16(9-5-13)24(18,19)22-12-15(3)23-25(20,21)17-10-6-14(2)7-11-17/h4-11,15H,12H2,1-3H3

Weigh it out

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Names and synonyms

1 names

(S)-(-)-1,2-Propanediol di-P-tosylate

Work with Propane-1,2-diyl bis(4-methylbenzene-1-sulfonate)

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

(R)-Glycidyl tosylate113826-06-563 % similar (S)-Glycidyl tosylate70987-78-963 % similar (R)-Glycerol 1-(P-toluenesulfonate)41274-09-361 % similar Oxetan-3-yl 4-methylbenzene-1-sulfonate26272-83-361 % similar Ethylene glycol ditosylate6315-52-260 % similar Propyl 4-methylbenzenesulfonate599-91-758 % similar (4S-Trans)-2,2-Dimethyl-4,5-bis[(4-methylphenylsulfonyloxy)methyl]-1,3-dioxolane37002-45-257 % similar (4R,5R)-4,5-Bis[[[(4-methylphenyl)sulfonyl]oxy]methyl]-2,2-dimethyl-[1,3]dioxolane51064-65-457 % similar

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

Same formula

1,3-Propanediol ditosylate5469-66-9

Elsewhere

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