chempirical

Sodium isobutyl xanthate

C5H9NaOS2CAS 25306-75-6172.24 g/mol

Open in Covalent MOL file
OS−SNa+
Thiol

Properties

Molecular formula
C5H9NaOS2
Molar mass
172.24 g/mol
Exact mass
171.9993 Da
logP
1.49Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
25306-75-6
SMILES
CC(C)COC([S-])=S.[Na+]
InChIKey
VEXIJLUQHUGSOH-UHFFFAOYSA-N
InChI
InChI=1S/C5H10OS2.Na/c1-4(2)3-6-5(7)8;/h4H,3H2,1-2H3,(H,7,8);

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

Names and synonyms

8 names
  • Carbonodithioic acid, O-(2-methylpropyl) ester, sodium salt (1:1)
  • Carbonic acid, dithio-, O-isobutyl ester, sodium salt
  • Carbonodithioic acid, O-(2-methylpropyl) ester, sodium salt
  • Z 14
  • Sodium O-isobutyl dithiocarbonate
  • Z 14 (Xanthate)
  • SIBX (flotation agent)
  • SIBX

Work with Sodium isobutyl xanthate

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 ethyl xanthate140-90-955 % similar Sodium isopropyl xanthate140-93-250 % similar Potassium ethyl xanthate140-89-641 % similar Diisobutyl carbonate539-92-440 % similar Potassium butyl xanthate871-58-940 % similar Potassium amyl xanthate2720-73-239 % similar Isobutyl chloroformate543-27-138 % similar Isobutyl isovalerate589-59-336 % similar

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

Same formula

Sodium butylxanthate141-33-3

Elsewhere

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