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Substance Name: 2-Chloroethyl ethyl sulfide
RN: 693-07-2
UNII: 5MN267Q6RG
InChIKey: GBNVXYXIRHSYEG-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C4-H9-Cl-S

Molecular Weight

  • 124.634
 
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Names and Synonyms

Name of Substance

  • 2-Chloroethyl ethyl sulfide

Synonyms

  • 1-Chloro-2-(ethylthio)ethane
  • 2-(Ethylthio)chloroethane
  • 2-Chloroethyl ethyl sulfide
  • 2-Chloroethyl ethyl thioether
  • 2-Chloroethyl(ethyl)sulfide
  • 2-Ethylthioethyl chloride
  • 4-01-00-01407 (Beilstein Handbook Reference)
  • beta-Ethylmerkaptoethylchlorid
  • beta-Ethylmerkaptoethylchlorid [Czech]
  • BRN 0635672
  • Chlordiethylsulfid
  • Chlordiethylsulfid [Czech]
  • Chlorothiolalcohol (CTA)
  • EINECS 211-742-1
  • Ethane, 1-chloro-2-(ethylthio)-
  • Ethyl 2-chloroethyl sulfide
  • Ethyl beta-chloroethyl sulfide
  • h-MG
  • h-Mg; half-mustard gas
  • Half-mustard gas
  • HSDB 5744
  • NSC 10977
  • Sulfide, 2-chloroethyl ethyl
  • Sulfide, chloroethyl ethyl
  • Sulfide, diethyl 2-chloro
  • UNII-5MN267Q6RG

Systematic Names

  • 2-Chloroethyl ethyl sulphide
  • Ethane, 1-chloro-2-(ethylthio)-
  • Sulfide, 2-chloroethyl ethyl (8CI)
  • Sulfide, chloroethyl ethyl

Superlist Names

  • 2-Chloroethyl ethyl sulfide
  • Sulfide, 2-chloroethyl ethyl

Registry Numbers

CAS Registry Number

  • 693-07-2

FDA UNII

  • 5MN267Q6RG

System Generated Number

  • 0000693072

Structure Descriptors

InChI

1S/C4H9ClS/c1-2-6-4-3-5/h2-4H2,1H3

InChIKey

GBNVXYXIRHSYEG-UHFFFAOYSA-N

Smiles

C(SCC)CCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 25mg/kg (25mg/kg)   National Technical Information Service. Vol. PB158-507,
rat LD50 oral 252mg/kg (252mg/kg)   "Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku," Marhold, J.V., Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha, Czechoslovakia, 1972Vol. -, Pg. 170, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 156.5 deg C   EXP
log P (octanol-water) 2.160 (none)   EST
Water Solubility 1390 mg/L 25 EST
Vapor Pressure 3.4 mm Hg 25 EXP
Henry's Law Constant 4.88E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.22E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.