Sodium 2-propyne-1-sulfonate

C₃H₃NaO₃SCAS 55947-46-1142.10 g/mol

Open in Covalent MOL file

Alkyne Sulfonic acid

Properties

Molecular formula: C₃H₃NaO₃S
Molar mass: 142.10 g/mol
Exact mass: 141.9701 Da
Melting point: 220 °C (decomposes)
logP: -0.87Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

55947-46-1

SMILES

C#CCS([O-])(=O)=O.[Na+]

InChIKey

IRJHRRSZWWXNJL-UHFFFAOYSA-N

InChI

InChI=1S/C3H4O3S.Na/c1-2-3-7(4,5)6;/h1H,3H2,(H,4,5,6);

Weigh it out

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

Names and synonyms

4 names

2-Propyne-1-sulfonic acid, sodium salt (1:1)
2-Propyne-1-sulfonic acid, sodium salt
Sodium propargylsulfonate
Sodium propynesulfonate

Work with Sodium 2-propyne-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

Sodium 2-hydroxy-3-(2-propynyloxy)-1-propanesulfonate30290-53-050 % similar Disodium 1,2-ethanedisulfonate5325-43-950 % similar Disodium methanedisulfonate5799-70-250 % similar Disodium butane-1,4-disulfonate36589-61-446 % similar Sodium hydroxymethanesulfonate870-72-444 % similar Propylsulfonic acid sodium salt14533-63-243 % similar Sodium 2-chloroethanesulfonate15484-44-341 % similar Sodium 2-hydroxyethyl sulfonate1562-00-141 % similar

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

Elsewhere

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