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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
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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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
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-NSmiles
CCNc1nc(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.