Diethyl 2,2'-thiodiacetate

C₈H₁₄O₄SCAS 925-47-3206.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₄O₄S
Molar mass: 206.26 g/mol
Exact mass: 206.0613 Da
Boiling point: 155–160 °C
logP: 0.85Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

925-47-3

SMILES

CCOC(=O)CSCC(=O)OCC

InChIKey

TVCSSJHLVLMADJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H14O4S/c1-3-11-7(9)5-13-6-8(10)12-4-2/h3-6H2,1-2H3

Weigh it out

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

Names and synonyms

8 names

Diethyl thiodiglycolate
Acetic acid, 2,2′-thiobis-, 1,1′-diethyl ester
Acetic acid, thiodi-, diethyl ester
Acetic acid, 2,2′-thiobis-, diethyl ester
Bis(carbethoxymethyl) sulfide
Diethyl thiodiacetate
Diethyl 2,2′-thiodiacetate
NSC 12576

Work with Diethyl 2,2'-thiodiacetate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl (methylthio)acetate4455-13-468 % similar Diethyl malonate105-53-361 % similar Diethyl succinate123-25-161 % similar Ethyl propionate105-37-358 % similar Diethyl glutarate818-38-258 % similar Diethyl adipate141-28-656 % similar Ethyl bromoacetate105-36-254 % similar Ethyl chloroacetate105-39-554 % similar

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

Same formula

Dimethyl 3,3′-thiodipropionate4131-74-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook