chempirical

Ferric P-toluenesulfonate

C21H21FeO9S3CAS 77214-82-5569.42 g/mol

Open in Covalent MOL file
SO−OOSO−OOSO−OOFe3+
Sulfonic acid

Properties

Molecular formula
C21H21FeO9S3
Molar mass
569.42 g/mol
Exact mass
568.9697 Da
logP
1.24Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
77214-82-5
SMILES
Cc1ccc(S([O-])(=O)=O)cc1.Cc1ccc(S([O-])(=O)=O)cc1.Cc1ccc(S([O-])(=O)=O)cc1.[Fe+3]
InChIKey
LWLURCPMVVCCCR-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O3S.Fe/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);

Weigh it out

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

Names and synonyms

30 names · show all
  • Clevios C-B 40V2
  • Benzenesulfonic acid, 4-methyl-, iron(3+) salt (3:1)
  • Benzenesulfonic acid, 4-methyl-, iron(3+) salt
  • Iron(III) p-toluenesulfonate
  • p-Toluenesulfonic acid ferric salt
  • Ferric tosylate
  • Iron tris(4-toluenesulfonate)
  • Iron(3+) tosylate
  • Tris(toluenesulfonate)iron(III)
  • Iron(III) tris(toluenesulfonate)
  • Baytron C-B 40
  • Baytron C
  • Baytron C-E
  • Baytron C-B 50
  • Baytron C-B 40 high fe
  • Iron(III) tosylate
  • Fe(III) p-toluenesulfonate
  • Clevios C-B 40
  • Clevios C-W
  • Iron tris(p-toluenesulfonate)
  • FTS
  • Clevios C-E 60
  • Taycatron AF 60E
  • Taycatron AF 55B
  • Clevios C
  • Clevios C-E 40
  • OS-DO 55
  • C-B 40V2
  • Clevios C-B 54V3
  • Clevios CB 54

Work with Ferric 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

Similar compounds

Sodium 4-methylbenzenesulfonate12068-03-081 % similar Sodium P-toluenesulfonate657-84-181 % similar Silver tosylate16836-95-678 % similar Zinc P-toluenesulfonate hydrate123334-05-470 % similar Tetraethylammonium P-toluenesulfonate733-44-866 % similar Choline p-toluenesulfonate55357-38-557 % similar 2-Fluoro-1-methylpyridinium P-toluenesulfonate58086-67-253 % similar 2-Chloro-1-methylpyridinium 4-methylbenzenesulfonate (1:1)7403-46-553 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook