chempirical

2-(Ethylthio)acetic acid

C4H8O2SCAS 627-04-3120.17 g/mol

Open in Covalent MOL file
SOOH
Carboxylic acidSulfide

Properties

Molecular formula
C4H8O2S
Molar mass
120.17 g/mol
Exact mass
120.0245 Da
Melting point
−8.5 °C
Boiling point
118 °C (at 11 Torr)
logP
0.82Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
627-04-3
SMILES
CCSCC(=O)O
InChIKey
VJIKFWJCVWFZIN-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O2S/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)

Weigh it out

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

Names and synonyms

11 names
  • Acetic acid, 2-(ethylthio)-
  • Acetic acid, (ethylthio)-
  • Carboxymethyl ethyl sulfide
  • S-(Carboxymethyl)ethyl mercaptan
  • (Ethylmercapto)acetic acid
  • Ethylthioacetic acid
  • NSC 75118
  • Ethylsulfanylacetic acid
  • 2-(Ethylthio)ethanoic acid
  • 2-(Ethylsulfanyl)acetic acid
  • 2-Ethylsulfanylacetic acid

Work with 2-(Ethylthio)acetic 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 acid123-93-367 % similar 2,2′-[Methylenebis(thio)]bis[acetic acid]2068-24-861 % similar Tetradecylthioacetic acid2921-20-253 % similar Dithiodiglycolic acid505-73-752 % similar (Methylthio)acetic acid2444-37-352 % similar Propionic acid79-09-446 % similar 2-[(Phenylmethyl)thio]acetic acid103-46-844 % similar 2,2′-[Carbonothioylbis(thio)]bis[acetic acid]6326-83-643 % similar

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

Same formula

Sulfolane126-33-0 Methyl (methylthio)acetate16630-66-3 (Ethylsulfonyl)ethene1889-59-4 3-Mercaptoisobutyric acid26473-47-2 Methyl 3-mercaptopropionate2935-90-2 Dimethylsulfonioacetate4727-41-7 Ethyl mercaptoacetate623-51-8 3-(Methylthio)propanoic acid646-01-5

Elsewhere

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