Bis(2-chloroethyl)sulfide

C₄H₈Cl₂SCAS 505-60-2159.07 g/mol

Open in Covalent MOL file

Alkyl halide Sulfide

Properties

Molecular formula: C₄H₈Cl₂S
Molar mass: 159.07 g/mol
Exact mass: 157.9724 Da
Density: 1.27 g/mL (at 15 °C)
Melting point: 13–14 °C
Boiling point: 216 °C
logP: 2.20Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Identifiers

CAS number

505-60-2

SMILES

ClCCSCCCl

InChIKey

QKSKPIVNLNLAAV-UHFFFAOYSA-N

InChI

InChI=1S/C4H8Cl2S/c5-1-3-7-4-2-6/h1-4H2

Weigh it out

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

Names and synonyms

29 names · show all

Ethane, 1,1′-thiobis[2-chloro-
Sulfide, bis(2-chloroethyl)
1,1′-Thiobis[2-chloroethane]
Bis(β-chloroethyl) sulfide
Bis(2-chloroethyl) sulfide
1-Chloro-2-(β-chloroethylthio)ethane
2,2′-Dichlorodiethyl sulfide
Di-2-chloroethyl sulfide
β,β′-Dichloroethyl sulfide
Kampstoff lost
Mustard gas
Sulfur mustard
Sulfur mustard gas
Yellow cross liquid
Yperite
2,2′-Dichloroethyl sulfide
Senfgas
Iprit
S-Lost
β,β′-Dichlorodiethyl sulfide
S-Yperite
Agent HD
HD (chemical warfare agent)
HD
Mustard
β-Chloroethylisobutyl sulfide
THD
Agent THD
THD (chemical warfare agent)

Work with Bis(2-chloroethyl)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

2-Chloroethyl ethyl sulfide693-07-259 % similar 2-Chloroethyl methyl sulfide542-81-447 % similar 1,2-Dichloroethane107-06-242 % similar Thiodiglycol111-48-838 % similar Tetrahydrothiophene110-01-036 % similar 1,4-Dichlorobutane110-56-536 % similar 1,3-Dichloropropane142-28-936 % similar Thietane287-27-436 % similar

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

Elsewhere

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