Eaton's reagent

CH₄O₈P₂SCAS 39394-84-8238.04 g/mol

Open in Covalent MOL file

Properties

Molecular formula: CH₄O₈P₂S
Molar mass: 238.04 g/mol
Exact mass: 237.9102 Da
logP: 0.68Crippen estimate
Polar surface area: 131.9 Å²
H-bond donors / acceptors: 1 / 7
Rotatable bonds: 2

Hazards

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

Identifiers

CAS number

39394-84-8

SMILES

CS(=O)(=O)O.O=P(=O)OP(=O)=O

InChIKey

JHNLZOVBAQWGQU-UHFFFAOYSA-N

InChI

InChI=1S/CH4O3S.O5P2/c1-5(2,3)4;1-6(2)5-7(3)4/h1H3,(H,2,3,4);

Weigh it out

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

Work with Eaton's reagent

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.

Methanesulfonic acid75-75-2Free acid Dihydroergotamine mesylate6190-39-2Salt Doxazosin mesylate77883-43-3Salt Deferoxamine mesylate138-14-7Salt Benztropine mesylate132-17-2Salt Bromocriptine mesylate22260-51-1Salt Tricaine methanesulfonate886-86-2Salt Almitrine bismesylate29608-49-9Salt Gabexate mesilate56974-61-9Salt Imatinib mesylate220127-57-1Salt Pergolide mesylate66104-23-2Salt Phentolamine methanesulfonate65-28-1Salt

Similar compounds

Phosphorus pentoxide1314-56-345 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook