2,2′-(Ethylenedioxy)diethanethiol

C₆H₁₄O₂S₂CAS 14970-87-7182.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₄O₂S₂
Molar mass: 182.30 g/mol
Exact mass: 182.0435 Da
Density: 1.503 g/mL (at 20 °C)
Boiling point: 125–131 °C (at 5 Torr)
logP: 0.88Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 7

Hazards

Danger

H301 Toxic if swallowed10.6% of notifiers
H302+H332 Harmful if swallowed or if inhaled13.5% of notifiers
H302 Harmful if swallowed89% of notifiers
H332 Harmful if inhaled94.7% of notifiers
H400 Very toxic to aquatic life10.6% of notifiers
H410 Very toxic to aquatic life with long lasting effects10.6% of notifiers
H411 Toxic to aquatic life with long lasting effects85.1% of notifiers

Aggregated from 282 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P273, P301+P316, P301+P317, P304+P340, P317, P321, P330, P391, P405, P501

Identifiers

CAS number

14970-87-7

SMILES

SCCOCCOCCS

InChIKey

HCZMHWVFVZAHCR-UHFFFAOYSA-N

InChI

InChI=1S/C6H14O2S2/c9-5-3-7-1-2-8-4-6-10/h9-10H,1-6H2

Weigh it out

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

Names and synonyms

17 names · show all

Ethanethiol, 2,2′-[1,2-ethanediylbis(oxy)]bis-
Ethanethiol, 2,2′-(ethylenedioxy)di-
2,2′-[1,2-Ethanediylbis(oxy)]bis[ethanethiol]
1,2-Bis(2-mercaptoethoxy)ethane
Triethylene glycol dimercaptan
1,2-Bis(2′-mercaptoethoxy)ethane
3,6-Dioxaoctane-1,8-dithiol
Triethylene glycol dithiol
1,8-Dimercapto-3,6-dioxaoctane
DMDO
Ethylene glycol di-2-mercaptoethyl ether
NSC 94782
3,6-Dioxa-1,8-dithiooctane
3,6-Dioxy-1,8-octanedithiol
Ethylene glycol bis(2-mercaptoethyl) ether
2-[2-(2-Sulfanylethoxy)ethoxy]ethanethiol
3,6-Dioxa-1,8-octandithiol

Reactions

Simplified Preparation of Dimethyldioxirane (DMDO)product

Work with 2,2′-(Ethylenedioxy)diethanethiol

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

2-Mercaptoethyl ether2150-02-992 % similar 1,4-Dioxane123-91-150 % similar 12-Crown-4294-93-950 % similar 15-Crown-533100-27-550 % similar Ethylene oxide75-21-850 % similar Propane-1,3-dithiol109-80-833 % similar Tetrahydrofuran109-99-933 % similar Diglyme111-96-633 % similar

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

Same formula

S-Propyl propanethiosulfonate1113-13-9 3,6-Dithia-1,8-octanediol5244-34-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook