Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Methyl isothiocyanate [BSI:ISO]
RN: 556-61-6
UNII: RWE2M5YDW1
InChIKey: LGDSHSYDSCRFAB-UHFFFAOYSA-N

Molecular Formula

  • C2-H3-N-S

Molecular Weight

  • 73.1187
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Anti-Infective Agents
  • Disinfectants
  • Fungicide, Bactericide, Wood Preservative
  • Herbicides
  • Human Data
  • Insecticide
  • Nematocide
  • Pesticides
  • Reproductive Effect
  • Skin / Eye Irritant

Superlist Classification Code

  • Threshold Planning Quantity (TPQ) = 500 lb

Names and Synonyms

Results Name

  • Methyl isothiocyanate [BSI:ISO]

Name of Substance

  • Methyl isothiocyanate
  • Methyl isothiocyanate [BSI:ISO]

Synonyms

  • AI3-28257
  • Caswell No. 573
  • EC 209-132-5
  • EINECS 209-132-5
  • EPA Pesticide Chemical Code 068103
  • HSDB 6396
  • Isothiocyanate de methyle
  • Isothiocyanate de methyle [French]
  • Isothiocyanate de methyle [ISO-French]
  • Isothiocyanatomethane
  • Isothiocyanic acid, methyl ester
  • Isotiocianato de metilo
  • Isotiocianato de metilo [Spanish]
  • Isotiocianato di metile
  • Isotiocianato di metile [Italian]
  • MeNCS
  • Methane, isothiocyanato-
  • Methyl isothiocyanate
  • Methyl mustard
  • Methyl mustard oil
  • Methyl-isothiocyanat
  • Methyl-isothiocyanat [German]
  • Methylisothiocyanaat
  • Methylisothiocyanaat [Dutch]
  • Methylisothiocyanaat [Netherlands]
  • Methylisothiocyanat
  • Methylisothiocyanat [Denmark]
  • Methylisothiokyanat
  • Methylisothiokyanat [Czech]
  • Methylsenfoel
  • Methylsenfoel [German]
  • Metile isotiocianato
  • Metile isotiocianato [Italian]
  • MIT
  • Mitc
  • Morton EP-161E
  • Trapex
  • Trapex-40
  • Trapexide
  • UNII-RWE2M5YDW1
  • Vorlex (Nor-Am)
  • Vorlex 201 (Nor-Am)
  • Vortex
  • WN 12

Systematic Names

  • Methane, isothiocyanato-
  • Methyl isothiocyanate

Superlist Names

  • Isothiocyanatomethane
  • Methane, isothiocyanato-
  • Methyl isothiocyanate
  • Methyl isothiocyanate [UN2477] [Poison]
  • UN2477

Registry Numbers

CAS Registry Number

  • 556-61-6

FDA UNII

  • RWE2M5YDW1

System Generated Number

  • 0000556616

Structure Descriptors

InChI

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

InChIKey

LGDSHSYDSCRFAB-UHFFFAOYSA-N

Smiles

CN=C=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
duck LD50 oral 136mg/kg (136mg/kg)   Pesticide Manual. Vol. 9, Pg. 581, 1991.
mouse LCLo inhalation 75mg/m3/4H (75mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 34(5), Pg. 33, 1969.
mouse LD50 intraperitoneal 82mg/kg (82mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 15, Pg. 297, 1990.
mouse LD50 oral 90mg/kg (90mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 15, Pg. 297, 1990.
mouse LD50 skin 1820mg/kg (1820mg/kg)   "Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel," Perkow, W., Berlin, Verlag Paul Parey, 1971-1976Vol. -, Pg. -, 1971/1976.
mouse LD50 subcutaneous 50mg/kg (50mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 505, 1955.
rabbit LD50 skin 33mg/kg (33mg/kg)   Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977.
rat LC50 inhalation 1900mg/m3/1H (1900mg/m3)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 15, Pg. 297, 1990.
rat LD50 intraperitoneal 54mg/kg (54mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 15, Pg. 297, 1990.
rat LD50 oral 72mg/kg (72mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 15, Pg. 297, 1990.
rat LD50 skin 2780mg/kg (2780mg/kg)   "Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel," Perkow, W., Berlin, Verlag Paul Parey, 1971-1976Vol. -, Pg. -, 1971/1976.
rat LD50 subcutaneous 59mg/kg (59mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 15, Pg. 297, 1990.
women LDLo oral 1gm/kg (1000mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: COMA
British Medical Journal. Vol. 283, Pg. 18, 1981.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 36 deg C   EXP
Boiling Point 119 deg C   EXP
pKa Dissociation Constant 12.3 (none)   EXP
log P (octanol-water) 0.94 (none)   EXP
Water Solubility 7600 mg/L 20 EXP
Vapor Pressure 3.54 mm Hg 25 EXP
Henry's Law Constant 4.48E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.36E-13 cm3/molecule-sec 25 EST

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