Sodium butylxanthate

C5H9NaOS2CAS 141-33-3172.24 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
1.64Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
141-33-3
SMILES
CCCCOC([S-])=S.[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.

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Names and synonyms

7 names
  • Carbonodithioic acid, O-butyl ester, sodium salt (1:1)
  • Xanthic acid, butyl-, sodium salt
  • Carbonodithioic acid, O-butyl ester, sodium salt
  • Raconite
  • Sodium butylxanthogenate
  • Sodium O-butyl dithiocarbonate
  • Dingji huangyao

Work with Sodium butylxanthate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Potassium butyl xanthate871-58-9Salt

Similar compounds

Potassium amyl xanthate2720-73-270 % similar Sodium ethyl xanthate140-90-959 % similar Potassium ethyl xanthate140-89-644 % similar Sodium dibutyldithiocarbamate136-30-143 % similar Dibutyl oxalate2050-60-442 % similar Dibutyl carbonate542-52-942 % similar Butyl acetate123-86-439 % similar Sodium isopropyl xanthate140-93-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Sodium isobutyl xanthate25306-75-6

Elsewhere

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