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Substance Name: Methyl thiocyanate
RN: 556-64-9
UNII: 55I23VY6IE
InChIKey: VYHVQEYOFIYNJP-UHFFFAOYSA-N

Classification Code

  • Threshold Planning Quantity (TPQ) = 10000 lb

Molecular Formula

  • C2-H3-N-S

Molecular Weight

  • 73.1187
 
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Names and Synonyms

Name of Substance

  • Methyl thiocyanate

Synonyms

  • 4-03-00-00327 (Beilstein Handbook Reference)
  • AI3-16178
  • BRN 1098357
  • EINECS 209-134-6
  • HSDB 5691
  • Methane, thiocyanato-
  • Methyl rhodanate
  • Methyl sulfocyanate
  • Methyl thiocyanate
  • Methylrhodanid
  • Methylrhodanid [German]
  • Methylthiokyanat
  • Methylthiokyanat [Czech]
  • NSC 9368
  • Thiocyanic acid, methyl ester
  • UNII-55I23VY6IE

Systematic Names

  • Methyl thiocyanate
  • Thiocyanic acid, methyl ester

Superlist Names

  • Methyl thiocyanate
  • Thiocyanic acid, methyl ester

Registry Numbers

CAS Registry Number

  • 556-64-9

FDA UNII

  • 55I23VY6IE

Other Registry Number

  • 1800084-80-3

System Generated Number

  • 0000556649

Structure Descriptors

InChI

1S/C2H3NS/c1-4-2-3/h1H3

InChIKey

VYHVQEYOFIYNJP-UHFFFAOYSA-N

Smiles

C(SC)#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 8500ug/kg (8.5mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Industrial Hygiene and Toxicology. Vol. 18, Pg. 310, 1936.
mouse LD50 intraperitoneal 23mg/kg (23mg/kg)   Pesticide Biochemistry and Physiology. Vol. 2, Pg. 95, 1972.
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02864,
mouse LDLo subcutaneous 64mg/kg (64mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Industrial Hygiene and Toxicology. Vol. 18, Pg. 310, 1936.
rabbit LDLo subcutaneous 20mg/kg (20mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS"
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 150, Pg. 257, 1930.
rat LD50 oral 60mg/kg (60mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1036, 1986.
rat LDLo skin 2670mg/kg (2670mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Industrial Hygiene and Toxicology. Vol. 18, Pg. 310, 1936.
rat LDLo subcutaneous 30mg/kg (30mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

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 -5.00E+00 deg C   EXP
Boiling Point 132.9 deg C   EXP
log P (octanol-water) 0.730 (none)   EST
Water Solubility 4.27E+04 mg/L 25 EST
Vapor Pressure 12.1 mm Hg 25 EXP
Henry's Law Constant 4.38E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.06E-12 cm3/molecule-sec 25 EST

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