Sodium 2-propyne-1-sulfonate

C3H3NaO3SCAS 55947-46-1142.10 g/mol

Open in Covalent MOL file
SO−OONa+
AlkyneSulfonic 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

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
55947-46-1
SMILES
C#CCS([O-])(=O)=O.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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 1,3-Propanedisulfonic acid disodium salt36589-58-946 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook