(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

Danger

H225 Highly Flammable liquid and vapor91.3% of notifiers
H315 Causes skin irritation91.3% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

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

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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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