chempirical

2-Chloroethyl ethyl sulfide

C4H9ClSCAS 693-07-2124.63 g/mol

Open in Covalent MOL file
SCl
Alkyl halideSulfide

Properties

Molecular formula
C4H9ClS
Molar mass
124.63 g/mol
Exact mass
124.0113 Da
Density
1.0663 g/mL (at 20 °C)
Boiling point
156 °C
logP
1.98Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
693-07-2
SMILES
CCSCCCl
InChIKey
GBNVXYXIRHSYEG-UHFFFAOYSA-N
InChI
InChI=1S/C4H9ClS/c1-2-6-4-3-5/h2-4H2,1H3

Weigh it out

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

Names and synonyms

12 names
  • Ethane, 1-chloro-2-(ethylthio)-
  • Sulfide, 2-chloroethyl ethyl
  • 1-Chloro-2-(ethylthio)ethane
  • Ethyl 2-chloroethyl sulfide
  • 2-Ethylthioethyl chloride
  • 2-(Ethylthio)chloroethane
  • 2-Chloroethyl ethyl thioether
  • 2-Chlorodiethyl sulfide
  • H-MG
  • Half-sulfur mustard
  • 1-Chloro-2-(ethylsulfanyl)ethane
  • NSC 10977

Work with 2-Chloroethyl ethyl 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

Bis(2-chloroethyl)sulfide505-60-259 % similar 2-(Ethylthio)ethanol110-77-052 % similar Ethyl propyl sulfide4110-50-350 % similar Diethyl sulfide352-93-247 % similar 2-Chloroethyl methyl sulfide542-81-443 % similar N-Propyl chloride540-54-535 % similar (Sp-4-2)-dichlorobis[1,1′-thiobis[ethane]]platinum15442-57-635 % similar Thiometon640-15-332 % similar

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

Elsewhere

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