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Substance Name: Simetryn [BSI:ISO]
RN: 1014-70-6
UNII: 036180247V
InChIKey: MGLWZSOBALDPEK-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Herbicide
  • Reproductive Effect

Molecular Formula

  • C8-H15-N5-S

Molecular Weight

  • 213.3075
 
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Names and Synonyms

Results Name

  • Simetryn [BSI:ISO]

Name of Substance

  • Simetryn
  • Simetryn [BSI:ISO]

Synonyms

  • 0-26-00-00271 (Beilstein Handbook Reference)
  • 2,4-Bis(ethylamino)-6-(methylthio)-s-triazine
  • 2,4-Bis(ethylamino)-6-methylmercapto-s-triazine
  • 2,4-Bis(ethylamino)-6-methylthio-1,3,5-triazine
  • 2,4-Di(ethylamino)-6-methylthio-1,3,5-triazine
  • 2-Methylmercapto-4,6-bis(ethylamino)-s-triazine
  • 2-Methylthio-4,6-bis(ethylamino)-s-triazine
  • 2-Methylthio-4,6-bis(monoethylamino)-2-triazine
  • 4,6-Bis(ethylamino)-2-methylthio-1,3,5-triazine
  • AI3-60361
  • BRN 0011728
  • Caswell No. 094B
  • Cymetrin
  • EINECS 213-801-7
  • EPA Pesticide Chemical Code 294300
  • G 32911
  • GY-Bon
  • N,N'-Diethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine
  • N2,N4-Diethyl-6-methylthio-1,3,5-triazine-2,4-diamine
  • NSC 163051
  • Simetryn
  • Simetryne
  • Simetryne [ISO-French]
  • Symetryne
  • UNII-036180247V

Systematic Names

  • 1,3,5-Triazine-2,4-diamine, N,N'-diethyl-6-(methylthio)-
  • s-Triazine, 2,4-bis(ethylamino)-6-(methylthio)-
  • Simetryn

Registry Numbers

CAS Registry Number

  • 1014-70-6

FDA UNII

  • 036180247V

System Generated Number

  • 0001014706

Structure Descriptors

InChI

1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)

InChIKey

MGLWZSOBALDPEK-UHFFFAOYSA-N

Smiles

CCNc1nc(nc(n1)SC)NCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 328mg/kg (328mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 17, Pg. S315, 1992.
mouse LD50 oral 1600mg/kg (1600mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 17, Pg. S315, 1992.
mouse LD50 subcutaneous 640mg/kg (640mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 17, Pg. S315, 1992.
rat LC50 inhalation > 4880mg/m3/4H (4880mg/m3)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 17, Pg. S315, 1992.
rat LD50 intraperitoneal 196mg/kg (196mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 17, Pg. S315, 1992.
rat LD50 oral 750mg/kg (750mg/kg)   "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 207, 1976.
rat LD50 skin > 3100mg/kg (3100mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 17, Pg. S315, 1992.
rat LD50 subcutaneous 395mg/kg (395mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 17, Pg. S315, 1992.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 82.5 deg C   EXP
pKa Dissociation Constant 4 (none)   EXP
log P (octanol-water) 2.8 (none)   EXP
Water Solubility 450 mg/L 22 EXP
Vapor Pressure 7.10E-07 mm Hg 25 EXP
Henry's Law Constant 4.43E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.90E-11 cm3/molecule-sec 25 EST

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