chempirical

Methyl propyl sulphide

C4H10SCAS 3877-15-490.18 g/mol

Open in Covalent MOL file
S
Sulfide

Properties

Molecular formula
C4H10S
Molar mass
90.18 g/mol
Exact mass
90.0503 Da
Density
0.8438 g/mL (at 20 °C)
Melting point
−113 °C
Boiling point
95.6 °C
logP
1.76Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,419 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
3877-15-4
SMILES
CCCSC
InChIKey
ZOASGOXWEHUTKZ-UHFFFAOYSA-N
InChI
InChI=1S/C4H10S/c1-3-4-5-2/h3-4H2,1-2H3

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Names and synonyms

9 names
  • Methyl propyl sulfide
  • Propane, 1-(methylthio)-
  • Sulfide, methyl propyl
  • 2-Thiapentane
  • Propyl methyl sulfide
  • 1-(Methylthio)propane
  • Methyl n-propyl sulfide
  • 1-(Methylsulfanyl)propane
  • 1-Methylsulfanylpropane

Work with Methyl propyl sulphide

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

Butyl methyl sulfide628-29-565 % similar 1-(Methylthio)dodecane3698-89-358 % similar Propyl sulfide111-47-750 % similar Dipropyl disulfide629-19-650 % similar Methyl propyl disulfide2179-60-447 % similar Dipropyl trisulfide6028-61-144 % similar Methyl propyl trisulfide17619-36-243 % similar 2-Methylthioethylamine18542-42-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Butanethiol109-79-5 Diethyl sulfide352-93-2 2-Methyl-1-propanethiol513-44-0 2-Butanethiol513-53-1 tert-Butylthiol75-66-1

Elsewhere

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