Methylthiomethyl ethyl ketone
Properties
- Molecular formula
- C5H10OS
- Molar mass
- 118.19 g/mol
- Exact mass
- 118.0452 Da
- Density
- 0.997 g/mL (at 22 °C)
- Boiling point
- 72–73 °C (at 16 Torr)
- logP
- 1.33Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the 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, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
13678-58-5SMILES
CCC(=O)CSCInChIKey
GOAGGJDTOMPTSA-UHFFFAOYSA-NInChI
InChI=1S/C5H10OS/c1-3-5(6)4-7-2/h3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- 2-Butanone, 1-(methylthio)-
- 1-(Methylthio)-2-butanone
- 1-Methylthio-2-butanone
- 1-(Methylsulfanyl)butan-2-one
- 1-Methylsulfanyl-butan-2-one
Work with Methylthiomethyl ethyl ketone
Similar compounds
3-Pentanone96-22-055 % similar
3,6-Octanedione2955-65-950 % similar
3,5-Heptanedione7424-54-650 % similar
1-Methylthio-2-propanone14109-72-944 % similar
3-Hexanone589-38-844 % similar
Bromomethyl ethyl ketone816-40-044 % similar
(Methylthio)acetic acid2444-37-342 % similar
Ethyl (methylthio)acetate4455-13-441 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds