3-Mercapto-2-pentanone
Properties
- Molecular formula
- C5H10OS
- Molar mass
- 118.19 g/mol
- Exact mass
- 118.0452 Da
- Density
- 0.988–0.998 g/mL
- Boiling point
- 61–62 °C (at 19 Torr)
- logP
- 1.28Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation94.9% of notifiers
- H319 Causes serious eye irritation97.3% of notifiers
- H335 May cause respiratory irritation96.5% of notifiers
Aggregated from 1,445 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
67633-97-0SMILES
CCC(S)C(C)=OInChIKey
SZECUQRKLXRGSJ-UHFFFAOYSA-NInChI
InChI=1S/C5H10OS/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- 2-Pentanone, 3-mercapto-
- 3-Sulfanylpentan-2-one
Work with 3-Mercapto-2-pentanone
Similar compounds
3-Ethylpentane-2,4-dione1540-34-754 % similar
3-Methylpentan-2-one565-61-750 % similar
3-Mercapto-2-butanone40789-98-842 % similar
Cyclopropyl methyl ketone765-43-540 % similar
Ethyl 2-ethylacetoacetate607-97-639 % similar
Cyclopentyl methyl ketone6004-60-037 % similar
Pyruvic aldehyde dimethyl acetal6342-56-937 % similar
Methyl isopropyl ketone563-80-436 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.