S-Ethyl thioacetate

C₄H₈OSCAS 625-60-5104.17 g/mol

Open in Covalent MOL file

Sulfide

Properties

Molecular formula: C₄H₈OS
Molar mass: 104.17 g/mol
Exact mass: 104.0296 Da
Density: 1.036 g/mL (at 16 °C)
Boiling point: 116.4 °C
logP: 1.29Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed32.7% of notifiers
H315 Causes skin irritation35.2% of notifiers
H318 Causes serious eye damage32.7% of notifiers
H335 May cause respiratory irritation34.5% of notifiers

Aggregated from 165 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

625-60-5

SMILES

CCSC(C)=O

InChIKey

APTGPWJUOYMUCE-UHFFFAOYSA-N

InChI

InChI=1S/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3

Weigh it out

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

Names and synonyms

7 names

Ethanethioic acid, S-ethyl ester
Acetic acid, thio-, S-ethyl ester
Ethanethiol, acetate
S-Ethyl thiolacetate
Ethyl thiolacetate
Ethyl ethanethioate
1-(Ethylsulfanyl)ethan-1-one

Work with S-Ethyl thioacetate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

S-Propyl thioacetate2307-10-059 % similar Ethyl chlorothioformate2941-64-248 % similar S-Ethyl propanethioate2432-42-046 % similar Molinate2212-67-143 % similar S-Ethyl dipropylthiocarbamate759-94-443 % similar S-Methyl thioacetate1534-08-341 % similar Ethylthiol trifluoroacetate383-64-241 % similar Acetylthiocholine iodide1866-15-540 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methylthio-2-propanone14109-72-9 1,4-Oxathiane15980-15-1 Tetramethylene sulfoxide1600-44-8 Methional3268-49-3 3-Mercapto-2-butanone40789-98-8 S-Methyl thiopropionate5925-75-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook