chempirical

Sodium 3-mercapto-1-propanesulfonate

C3H7NaO3S2CAS 17636-10-1178.20 g/mol

Open in Covalent MOL file
O−SOOSHNa+
Sulfonic acidThiol

Properties

Molecular formula
C3H7NaO3S2
Molar mass
178.20 g/mol
Exact mass
177.9734 Da
logP
-0.19Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
17636-10-1
SMILES
[O-]S(=O)(=O)CCCS.[Na+]
InChIKey
FTCLAXOKVVLHEG-UHFFFAOYSA-N
InChI
InChI=1S/C3H8O3S2.Na/c4-8(5,6)3-1-2-7;/h7H,1-3H2,(H,4,5,6);

Weigh it out

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

Names and synonyms

10 names
  • 1-Propanesulfonic acid, 3-mercapto-, sodium salt (1:1)
  • 1-Propanesulfonic acid, 3-mercapto-, monosodium salt
  • 1-Propanesulfonic acid, 3-mercapto-, sodium salt
  • 3-Mercaptopropanesulfonic acid, sodium salt
  • Sodium γ-mercaptopropanesulfonate
  • Sodium 3-mercaptopropanesulfonate
  • Asta 7100
  • Sodium 3-mercaptopropylsulfonate
  • 3-Mercapto-1-propanesulfonic acid monosodium salt
  • MPS

Work with Sodium 3-mercapto-1-propanesulfonate

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

Mesna19767-45-475 % similar Disodium butane-1,4-disulfonate36589-61-470 % similar Bis(sodium sulfopropyl) disulfide27206-35-563 % similar Disodium 1,2-ethanedisulfonate5325-43-961 % similar Sodium 1-butanesulfonate2386-54-157 % similar Sodium pentanesulfonate22767-49-355 % similar Sodium decanesulfonate13419-61-953 % similar Sodium hexadecylsulfonate15015-81-353 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook