Ethyl propyl sulfide

C5H12SCAS 4110-50-3104.21 g/mol

Open in Covalent MOL file
S
Sulfide

Properties

Molecular formula
C5H12S
Molar mass
104.21 g/mol
Exact mass
104.0660 Da
Density
0.8441 g/mL (at 20 °C)
Melting point
−117 °C
Boiling point
118.6 °C
logP
2.15Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 5 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
4110-50-3
SMILES
CCCSCC
InChIKey
ZDDDFDQTSXYYSE-UHFFFAOYSA-N
InChI
InChI=1S/C5H12S/c1-3-5-6-4-2/h3-5H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Propane, 1-(ethylthio)-
  • Sulfide, ethyl propyl
  • 1-(Ethylthio)propane
  • Ethyl propyl thioether
  • Propyl ethyl sulfide
  • 3-Thiahexane
  • NSC 163319
  • Ethyl n-propyl sulfide
  • 1-Ethylsulfanylpropane

Work with Ethyl propyl sulfide

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

Propyl sulfide111-47-767 % similar Diethyl sulfide352-93-253 % similar 2-(Ethylthio)ethanol110-77-050 % similar 2-(Ethylthio)ethylamine36489-03-950 % similar 2-Chloroethyl ethyl sulfide693-07-250 % similar Dipropyl disulfide629-19-647 % similar 3-(Propylthio)-1-propene27817-67-043 % similar Methyl propyl sulphide3877-15-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Pentanethiol110-66-7 2-Methyl-2-butanethiol1679-09-0 2-Methyl-1-butanethiol1878-18-8 3-Methyl-2-butanethiol2084-18-6 2-Pentanethiol2084-19-7 3-Methyl-1-butanethiol541-31-1 Butyl methyl sulfide628-29-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook