(Methylthio)acetaldehyde dimethyl acetal

C₅H₁₂O₂SCAS 40015-15-4136.21 g/mol

Open in Covalent MOL file

Acetal Ether Sulfide

Properties

Molecular formula: C₅H₁₂O₂S
Molar mass: 136.21 g/mol
Exact mass: 136.0558 Da
logP: 0.97Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

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

40015-15-4

SMILES

COC(CSC)OC

InChIKey

DVOAQLUDKIFSNB-UHFFFAOYSA-N

InChI

InChI=1S/C5H12O2S/c1-6-5(7-2)4-8-3/h5H,4H2,1-3H3

Weigh it out

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

Names and synonyms

6 names

1,1-Dimethoxy-2-(methylthio)ethane
Ethane, 1,1-dimethoxy-2-(methylthio)-
Methylthioacetaldehyde dimethyl acetal
2-(Methylthio)acetaldehyde dimethyl acetal
2,2-Dimethoxyethyl methyl sulfide
1,1-Dimethoxy-2-methylsulfanylethane

Work with (Methylthio)acetaldehyde dimethyl acetal

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

1,1,3,3-Tetramethoxypropane102-52-345 % similar 2,5-Dimethoxytetrahydrofuran696-59-341 % similar Aminoacetaldehyde dimethyl acetal22483-09-639 % similar 1,1,2-Trimethoxyethane24332-20-539 % similar 2,2-Dimethoxyethanol30934-97-539 % similar 2-Bromo-1,1-dimethoxyethane7252-83-739 % similar Chloroacetaldehyde dimethyl acetal97-97-239 % similar 1,1,3-Trimethoxybutane10138-89-336 % similar

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

Elsewhere

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