S-Propyl thioacetate
Properties
- Molecular formula
- C5H10OS
- Molar mass
- 118.19 g/mol
- Exact mass
- 118.0452 Da
- Density
- 0.9688 g/mL (at 25 °C)
- Boiling point
- 135 °C (at 750 Torr)
- logP
- 1.68Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H226 Flammable liquid and vapor32.4% of notifiers
- H312 Harmful in contact with skin28.7% of notifiers
- H315 Causes skin irritation28.7% of notifiers
- H319 Causes serious eye irritation28.7% of notifiers
- H335 May cause respiratory irritation27.9% of notifiers
Aggregated from 136 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, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
2307-10-0SMILES
CCCSC(C)=OInChIKey
SBWFWBJCYMBZEY-UHFFFAOYSA-NInChI
InChI=1S/C5H10OS/c1-3-4-7-5(2)6/h3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Ethanethioic acid, S-propyl ester
- Acetic acid, thio-, S-propyl ester
- Propyl thiolacetate
- 1-(Propylsulfanyl)ethan-1-one
Work with S-Propyl thioacetate
Similar compounds
S-Ethyl thioacetate625-60-559 % similar
Acetylthiocholine iodide1866-15-548 % similar
Acetylthiocholine bromide25025-59-648 % similar
Acetylthiocholine chloride6050-81-348 % similar
S-Propyl-N-butyl-N-ethylthiocarbamate1114-71-241 % similar
4-Heptanone123-19-339 % similar
S-Methyl thioacetate1534-08-339 % similar
Propyl sulfide111-47-738 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds