chempirical

Sodium xylenesulfonate

C8H9NaO3SCAS 1300-72-7208.21 g/mol

Open in Covalent MOL file
SOOO−Na+
Sulfonic acid

Properties

Molecular formula
C8H9NaO3S
Molar mass
208.21 g/mol
Exact mass
208.0170 Da
logP
-1.79Crippen estimate
Polar surface area
57.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
1300-72-7
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)[O-])C.[Na+]
InChIKey
QUCDWLYKDRVKMI-UHFFFAOYSA-M
InChI
InChI=1S/C8H10O3S.Na/c1-6-3-4-8(5-7(6)2)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);/q;+1/p-1

Weigh it out

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

Names and synonyms

24 names · show all
  • Benzenesulfonic acid, dimethyl-, sodium salt (1:1)
  • Xylenesulfonic acid, sodium salt
  • Benzenesulfonic acid, dimethyl-, sodium salt
  • Naxonate
  • Eltesol SX 30
  • Cyclophil SXS 30
  • Naxonate G
  • Sodium dimethylbenzenesulfonate
  • Conco SXS
  • Ultrawet 40SX
  • Stepanate X
  • Richonate SXS
  • SXS 40
  • Stepanate SXS
  • Witconate SXS
  • Naxonate 4L
  • Naxonate SX
  • Kemmat SN 18
  • FAC 2
  • Eltesol SX 93
  • Sodium xylenesulfate
  • Vanwet SXS 40
  • Hart SXS
  • UH 021

Work with Sodium xylenesulfonate

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

Disodium 2,6-naphthalenedisulfonate1655-45-460 % similar Sodium 4-methylbenzenesulfonate12068-03-058 % similar Disodium 2,7-naphthalenedisulfonate1655-35-258 % similar Sodium P-toluenesulfonate657-84-158 % similar Disodium m-benzenedisulfonate831-59-457 % similar Sodium 2-naphthalenesulfonate532-02-553 % similar Sodium 1,3,6-naphthalenetrisulfonate5182-30-953 % similar 3,4-Dimethylbenzenesulfonyl chloride2905-30-852 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook