chempirical

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

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-Chloroethyl ethyl sulfide693-07-250 % similar Dipropyl disulfide629-19-647 % similar 3-(Propylthio)-1-propene27817-67-043 % similar Methyl propyl sulfide3877-15-442 % similar Dibutyl sulfide544-40-142 % 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