chempirical

(Ethylenedithio)diacetic acid

C6H10O4S2CAS 7244-02-2210.26 g/mol

Open in Covalent MOL file
SOOHSOHO
Carboxylic acidSulfide

Properties

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

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
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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