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Substance Name: 2-((2-Chloroethyl)thio)ethanol
RN: 693-30-1
UNII: X99B866STV
InChIKey: ZGFPMAMREQRRRB-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C4-H9-Cl-O-S

Molecular Weight

  • 140.633
 
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Names and Synonyms

Name of Substance

  • 2-((2-Chloroethyl)thio)ethanol

Synonyms

  • 2-((2-Chloroethyl)thio)ethanol
  • 2-Chloroethyl 2-hydroxyethyl sulfide
  • 2-Hydroxyethyl 2-chloroethyl sulfide
  • 4-01-00-02430 (Beilstein Handbook Reference)
  • beta-Chloroethyl beta-hydroxyethyl sulfide
  • BRN 1697572
  • Ethanol, 2-(2-chloro-ethylthio)-
  • Half mustard gas
  • Half sulfur mustard
  • Hemisulfur mustard
  • HSM
  • Mustard chlorohydrin
  • NSC 30024
  • Sulfide, 2-chloroethyl 2-hydroxyethyl
  • Sulfur half-mustard
  • UNII-X99B866STV

Systematic Name

  • Ethanol, 2-((2-chloroethyl)thio)-

Registry Numbers

CAS Registry Number

  • 693-30-1

FDA UNII

  • X99B866STV

System Generated Number

  • 0000693301

Structure Descriptors

InChI

1S/C4H9ClOS/c5-1-3-7-4-2-6/h6H,1-4H2

InChIKey

ZGFPMAMREQRRRB-UHFFFAOYSA-N

Smiles

S(CCO)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35mg/kg (35mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948.
mouse LD50 skin 600mg/kg (600mg/kg) GASTROINTESTINAL: OTHER CHANGES

LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE"

ENDOCRINE: OTHER CHANGES
Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 1, 1948.
rat LD50 intramuscular 500ug/kg (0.5mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) National Technical Information Service. Vol. PB158-507,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.690 (none)   EST
Water Solubility 2.14E+04 mg/L 25 EST
Vapor Pressure 0.011 mm Hg 25 EST
Henry's Law Constant 1.78E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.79E-11 cm3/molecule-sec 25 EST

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