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Substance Name: Desmetryn [BSI:ISO]
RN: 1014-69-3
UNII: 36FZV8OVJS
InChIKey: HCRWJJJUKUVORR-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Herbicide
  • Mutation Data

Molecular Formula

  • C8-H15-N5-S

Molecular Weight

  • 213.3075
 
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Names and Synonyms

Results Name

  • Desmetryn [BSI:ISO]

Name of Substance

  • Desmetryn [BSI:ISO]
  • Desmetryne
  • Semeron

Synonyms

  • 1,3,5-Triazine-2,4-diamine, N-methyl-N'-(1-methylethyl)-6-(methylthio)-
  • 2-(Isopropylamino)-4-(methylamino)-6-(methylthio)-s-triazine
  • 2-(Methylthio)-4-(methylamino)-6-(isopropylamino)-s-triazine
  • 2-Isopropilamino-4-metilamino-6-metiltio-1,3,5-triazina
  • 2-Isopropilamino-4-metilamino-6-metiltio-1,3,5-triazina [Italian]
  • 2-Isopropylamino-4-methylamino-6-methylmercapto-s-triazine
  • 2-Isopropylamino-4-methylamino-6-methylthio-1,3,5-triazine
  • 2-Methylamino-4-methylthio-6-isopropylamino-1,3,5-triazine
  • 2-Methylmercapto-4-methylamino-6-isopropylamino-s-triazine
  • 2-Methylthio-4-isopropylamino-6-methylamino-s-triazine
  • BRN 0612017
  • Caswell No. 509B
  • Desmetryn
  • Desmetryn [German, Dutch]
  • Desmetryn [German]
  • Desmetryne
  • Desmetryne [ISO-French]
  • EINECS 213-800-1
  • EPA Pesticide Chemical Code 080810
  • G 34360
  • GS 34360
  • HSDB 1729
  • Methylmercapto-4-isopropylamino-6-methylamino-s-triazine
  • N-Methyl-N'-(1-methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine (9CI)
  • N2-Isopropyl-N4-methyl-6-methylthio-1,3,5-triazine-2,4-diamine
  • Norametryne
  • s-Triazine, 2-(isopropylamino)-4-(methylamino)-6-(methylthio)-
  • Samuron
  • Semeron
  • Semeron 250
  • Semeron-25
  • Topusyn
  • UNII-36FZV8OVJS

Systematic Names

  • 1,3,5-Triazine-2,4-diamine, N-methyl-N'-(1-methylethyl)-6-(methylthio)-
  • 1,3,5-Triazine-2,4-diamine, N-methyl-N'-(1-methylethyl)-6-(methylthio)- (9CI)
  • Desmetryn
  • N-Methyl-N'-(1-methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine
  • s-Triazine, 2-(isopropylamino)-4-(methylamino)-6-(methylthio)-

Registry Numbers

CAS Registry Number

  • 1014-69-3

FDA UNII

  • 36FZV8OVJS

System Generated Number

  • 0001014693

Structure Descriptors

InChI

1S/C8H15N5S/c1-5(2)10-7-11-6(9-3)12-8(13-7)14-4/h5H,1-4H3,(H2,9,10,11,12,13)

InChIKey

HCRWJJJUKUVORR-UHFFFAOYSA-N

Smiles

CC(C)Nc1nc(nc(n1)SC)NC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 2gm/kg (2000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(6), Pg. 81, 1979.
mouse LD50 oral 700mg/kg (700mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 17(6), Pg. 43, 1973.
rat LC50 inhalation 1563gm/m3/1H (1563000mg/m3)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A128, Pg. 1983,
rat LD50 oral 1390mg/kg (1390mg/kg)   "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 71, 1976.
rat LD50 skin > 1gm/kg (1000mg/kg)   World Review of Pest Control. Vol. 9, Pg. 119, 1970.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 85 deg C   EXP
Boiling Point 345 deg C   EXP
pKa Dissociation Constant 4 (none)   EXP
log P (octanol-water) 2.38 (none)   EXP
Water Solubility 580 mg/L 20 EXP
Vapor Pressure 9.98E-07 mm Hg 20 EXP
Henry's Law Constant 4.83E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.09E-11 cm3/molecule-sec 25 EST

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