3-Butynyl P-toluenesulfonate

C₁₁H₁₂O₃SCAS 23418-85-1224.27 g/mol

Open in Covalent MOL file

Alkyne Sulfonate ester

Properties

Molecular formula: C₁₁H₁₂O₃S
Molar mass: 224.27 g/mol
Exact mass: 224.0507 Da
Boiling point: 90 °C (at NaN Torr)
logP: 1.72Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Identifiers

CAS number

23418-85-1

SMILES

C#CCCOS(=O)(=O)c1ccc(C)cc1

InChIKey

STOASOOVVADOKH-UHFFFAOYSA-N

InChI

InChI=1S/C11H12O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h1,5-8H,4,9H2,2H3

Weigh it out

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

Names and synonyms

17 names · show all

3-Butyn-1-ol, 1-(4-methylbenzenesulfonate)
3-Butyn-1-ol, p-toluenesulfonate
3-Butyn-1-ol, 4-methylbenzenesulfonate
4-p-Tolylsulfonyloxy-1-butyne
3-Butyn-1-yl p-toluenesulfonate
3-Butyn-1-yl p-tosylate
3-Butynyl tosylate
3-Butynyl 4-methylbenzenesulfonate
3-Butyn-1-ol tosylate
4-Methylbenzenesulfonic acid 3-butynyl ester
Toluene-4-sulfonic acid but-3-ynyl ester
NSC 116062
4-(Tosyloxy)-1-butyne
3-Butyn-1-yl tosylate
3-Butynyl 4-toluenesulfonate
Homopropargyl tosylate
3-Butyn-1-yl 4-methylbenzenesulfonate

Work with 3-Butynyl P-toluenesulfonate

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

Same formula

(2S)-3-(Benzoylthio)-2-methylpropanoic acid72679-02-8

Elsewhere

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