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Substance Name: Methylene thiocyanate
RN: 6317-18-6
UNII: K1QS9QOS1J
InChIKey: JWZXKXIUSSIAMR-UHFFFAOYSA-N

Classification Codes

  • Reproductive Effect
  • Tumor Data

Molecular Formula

  • C3-H2-N2-S2

Molecular Weight

  • 130.195
 
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Names and Synonyms

Name of Substance

  • Methylene bis(thiocyanate)
  • Methylene thiocyanate

Synonyms

  • 3-03-00-00288 (Beilstein Handbook Reference)
  • BRN 1743370
  • Caswell No. 565
  • CCRIS 636
  • CP 17879
  • EINECS 228-652-3
  • EPA Pesticide Chemical Code 068102
  • HSDB 4497
  • Methane, dithiocyanato-
  • Methylendirhodanid
  • Methylendirhodanid [Czech]
  • Methylendithiokyanat
  • Methylendithiokyanat [Czech]
  • Methylene bis(thiocyanate)
  • Methylene dithiocyanate
  • Methylene thiocyanate
  • Methylenebis(thiocyanate)
  • Methylenedirhodanid
  • Methylenedirhodanid [German]
  • Methylenedirhodanide
  • Nalco D-1994
  • Nalfloc N 206
  • NSC 40464
  • Proxel MB
  • Thiocyanic acid, methylene ester
  • UNII-K1QS9QOS1J
  • V 709

Systematic Names

  • Methylene bis(thiocyanate)
  • Methylene dithiocyanate
  • Thiocyanic acid, C,C'-methylene ester
  • Thiocyanic acid, methylene ester

Superlist Name

  • Methylene bis(thiocyanate)

Registry Numbers

CAS Registry Number

  • 6317-18-6

FDA UNII

  • K1QS9QOS1J

System Generated Number

  • 0006317186

Structure Descriptors

InChI

1S/C3H2N2S2/c4-1-6-3-7-2-5/h3H2

InChIKey

JWZXKXIUSSIAMR-UHFFFAOYSA-N

Smiles

C(SC#N)SC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 3600ug/kg (3.6mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03787,
rabbit LDLo skin 398mg/kg (398mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LIVER: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0545751,
rabbit LDLo subcutaneous 20mg/kg (20mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 150, Pg. 257, 1930.
rat LD50 oral 55mg/kg (55mg/kg)   Developments in Industrial Microbiology. Vol. 12, Pg. 404, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.620 (none)   EST
Water Solubility 2.72E+04 mg/L 25 EST
Vapor Pressure 1.97E-03 mm Hg 25 EST
Henry's Law Constant 2.61E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.68E-11 cm3/molecule-sec 25 EST

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