Bis(2-chloroethyl)sulfide

C4H8Cl2SCAS 505-60-2159.07 g/mol

Open in Covalent MOL file
ClSCl
Alkyl halideSulfide

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
Flash point
105 °C
Water solubility
609 mg/L (25 °C)
logP
2.20Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

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

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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 Thiirane420-12-242 % similar 1,4-Dithiane505-29-342 % similar Thiodiglycol111-48-838 % similar Tetrahydrothiophene110-01-036 % similar 1,4-Dichlorobutane110-56-536 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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