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Substance Name: Ethyl thiocyanate
RN: 542-90-5
UNII: PF9AD5G86Z
InChIKey: WFCLYEAZTHWNEH-UHFFFAOYSA-N

Classification Code

  • Threshold Planning Quantity (TPQ) = 10000 lb

Molecular Formula

  • C3-H5-N-S

Molecular Weight

  • 87.1455
 
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Names and Synonyms

Name of Substance

  • Ethyl thiocyanate

Synonyms

  • 4-03-00-00328 (Beilstein Handbook Reference)
  • Aethylrhodanid
  • Aethylrhodanid [German]
  • AI3-18429
  • BRN 1737620
  • EINECS 208-833-3
  • Ethane, thiocyanato-
  • Ethyl rhodanate
  • Ethyl sulfocyanate
  • Ethyl thiocyanate
  • Ethylthiokyanat
  • Ethylthiokyanat [Czech]
  • HSDB 6394
  • NSC 8827
  • Thiocyanic acid, ethyl ester
  • UNII-PF9AD5G86Z

Systematic Names

  • Ethyl thiocyanate
  • Thiocyanic acid, ethyl ester

Superlist Names

  • Ethyl thiocyanate
  • Ethylthiocyanate

Registry Numbers

CAS Registry Number

  • 542-90-5

FDA UNII

  • PF9AD5G86Z

System Generated Number

  • 0000542905

Structure Descriptors

InChI

1S/C3H5NS/c1-2-5-3-4/h2H2,1H3

InChIKey

WFCLYEAZTHWNEH-UHFFFAOYSA-N

Smiles

S(CC)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 10mg/kg (10mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Journal of Industrial Hygiene and Toxicology. Vol. 18, Pg. 310, 1936.
mouse LD50 intraperitoneal 10mg/kg (10mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Japanese Journal of Pharmacology. Vol. 3, Pg. 99, 1954.
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02865,
mouse LD50 subcutaneous 70mg/kg (70mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Japanese Journal of Pharmacology. Vol. 3, Pg. 99, 1954.
rabbit LDLo subcutaneous 15mg/kg (15mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 150, Pg. 257, 1930.
rat LDLo oral 201mg/kg (201mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Industrial Hygiene and Toxicology. Vol. 18, Pg. 310, 1936.
rat LDLo skin 2512mg/kg (2512mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Journal of Industrial Hygiene and Toxicology. Vol. 18, Pg. 310, 1936.
rat LDLo subcutaneous 40mg/kg (40mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Industrial Hygiene and Toxicology. Vol. 18, Pg. 310, 1936.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.55E+01 deg C   EXP
Boiling Point 146 deg C   EXP
log P (octanol-water) 1.220 (none)   EST
Water Solubility 1.55E+04 mg/L 25 EST
Vapor Pressure 4.830 mm Hg 25 EST
Henry's Law Constant 5.82E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.45E-12 cm3/molecule-sec 25 EST

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