2-(Ethylthio)acetic acid
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
Hazards
Danger
- H314 Causes severe skin burns and eye damage13.6% of notifiers
- H319 Causes serious eye irritation88.6% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, P501
Identifiers
CAS number
627-04-3SMILES
CCSCC(=O)OInChIKey
VJIKFWJCVWFZIN-UHFFFAOYSA-NInChI
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
Similar compounds
Thiodiglycolic acid123-93-367 % similar
2,2′-[Methylenebis(thio)]bis[acetic acid]2068-24-861 % similar
(Ethylenedithio)diacetic acid7244-02-261 % similar
Tetradecylthioacetic acid2921-20-253 % similar
Dithiodiglycolic acid505-73-752 % similar
(Methylthio)acetic acid2444-37-352 % similar
2-[(Cyanomethyl)sulfanyl]acetic acid55817-29-348 % similar
Propionic acid79-09-446 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.