(Ethylenedithio)diacetic acid

C₆H₁₀O₄S₂CAS 7244-02-2210.26 g/mol

Open in Covalent MOL file

Carboxylic acid Sulfide

Properties

Molecular formula: C₆H₁₀O₄S₂
Molar mass: 210.26 g/mol
Exact mass: 210.0021 Da
logP: 0.62Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 7

Hazards

Warning

H315 Causes skin irritation29.7% of notifiers
H319 Causes serious eye irritation29.7% of notifiers
H335 May cause respiratory irritation29.1% of notifiers

Aggregated from 148 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

7244-02-2

SMILES

C(CSCC(=O)O)SCC(=O)O

InChIKey

CCQMORVULNZXIA-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O4S2/c7-5(8)3-11-1-2-12-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)

Weigh it out

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

Work with (Ethylenedithio)diacetic acid

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

Thiodiglycolic acid123-93-378 % similar 2,2′-[Methylenebis(thio)]bis[acetic acid]2068-24-870 % similar 2-(Ethylthio)acetic acid627-04-361 % similar Dithiodiglycolic acid505-73-760 % similar Tetradecylthioacetic acid2921-20-259 % similar Thiodipropionic acid111-17-155 % similar 2-[(Cyanomethyl)sulfanyl]acetic acid55817-29-354 % similar (Methylthio)acetic acid2444-37-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,3′-Dithiodipropionic acid1119-62-6 Glycol dimercaptoacetate123-81-9

Elsewhere

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