chempirical

2-Chloroethyl methyl sulfide

C3H7ClSCAS 542-81-4110.60 g/mol

Open in Covalent MOL file
SCl
Alkyl halideSulfide

Properties

Molecular formula
C3H7ClS
Molar mass
110.60 g/mol
Exact mass
109.9957 Da
Boiling point
55–57 °C (at 30 Torr)
logP
1.59Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
542-81-4
SMILES
CSCCCl
InChIKey
MYFKLQFBFSHBPA-UHFFFAOYSA-N
InChI
InChI=1S/C3H7ClS/c1-5-3-2-4/h2-3H2,1H3

Weigh it out

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

Names and synonyms

14 names · show all
  • Ethane, 1-chloro-2-(methylthio)-
  • Sulfide, 2-chloroethyl methyl
  • 2-Chloroethyl methyl thioether
  • Methyl β-chloroethyl sulfide
  • 2-(Methylthio)ethyl chloride
  • 1-Chloro-2-(methylthio)ethane
  • β-(Methylthio)ethyl chloride
  • Methyl 2-chloroethyl sulfide
  • β-Chloroethyl methylsulfide
  • 4-Chloro-2-thiabutane
  • NSC 91724
  • 1-Chloro-2-methylsulfanylethane
  • 2-(Methylsulfanyl)ethyl chloride
  • (2-Chloroethyl)(methyl)sulfane

Work with 2-Chloroethyl methyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bis(2-chloroethyl)sulfide505-60-247 % similar Chloromethyl methyl sulfide2373-51-544 % similar 2-Chloroethyl ethyl sulfide693-07-243 % similar Methyl propyl sulfide3877-15-442 % similar 2-Methylthioethylamine18542-42-240 % similar Butyl methyl sulfide628-29-538 % similar 3-(Methylthio)propylamine4104-45-436 % similar Methionol505-10-236 % similar

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

Elsewhere

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