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Thidiazuron

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Name

Thidiazuron

EINECS 257-356-7
CAS No. 51707-55-2 Density 1.511 g/cm3
PSA 95.15000 LogP 2.32810
Solubility slightly soluble in water Melting Point 213 °C
Formula C9H8N4OS Boiling Point N/A
Molecular Weight 220.255 Flash Point N/A
Transport Information N/A Appearance white odourless crystalline solid
Safety 22-26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 51707-55-2 (5-Phenylcarbamoylamino-1,2,3-thiadiazole) Hazard Symbols IrritantXi
Synonyms

1,2,3-Thiadiazole,urea deriv.;1-Phenyl-3-(1,2,3-thiadiazol-5-yl)urea;Avguron;Dropp;Dropp SC;Lift;N-Phenyl-N'-1,2,3-thiadiazol-5-ylurea;SN 49537;TAG (plant growthregulator);TDZ;5-Phenylcarbamoylamino-1,2,3-thiadiazole;

Article Data 7

Thidiazuron Specification

The Thidiazuron, with the CAS registry number 51707-55-2, is also known as 5-Phenylcarbamoylamino-1,2,3-thiadiazole. It belongs to the product categories of Cytokinins; Plant Growth Regulators; Plant Tissue Culture; Herbicides; Pesticides; Pesticides & Metabolites; Urea structure; Alpha sort; Aromatics; Heterocycles; Sulfur & Selenium Compounds. Its EINECS number is 257-356-7. This chemical's molecular formula is C9H8N4OS and molecular weight is 220.25. What's more, its systematic name is 1-Phenyl-3-(1,2,3-thiadiazol-5-yl)urea. Its classification codes are: (1)Agricultural Chemical; (2)Growth regulator / Fertilizer; (3)Plant growth regulator; (4)Reproductive Effect. Its storage temperature is 0 - 6°C. This chemcial is urea plant growth regulator, which is mainly used as a cotton defoliant.

Physical properties of Thidiazuron are: (1)ACD/LogP: 1.798; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.80; (4)ACD/LogD (pH 7.4): 1.80; (5)ACD/BCF (pH 5.5): 13.69; (6)ACD/BCF (pH 7.4): 13.69; (7)ACD/KOC (pH 5.5): 226.52; (8)ACD/KOC (pH 7.4): 226.41; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 95.15 Å2; (13)Index of Refraction: 1.754; (14)Molar Refractivity: 59.639 cm3; (15)Molar Volume: 145.784 cm3; (16)Polarizability: 23.643×10-24cm3; (17)Surface Tension: 80.7 dyne/cm; (18)Density: 1.511 g/cm3.

Uses of Thidiazuron: it can be used to produce 1-(4-bromo-phenyl)-3-(4-bromo-[1,2,3]thiadiazol-5-yl)-urea by heating. It will need reagent bromine and solvent ethanol with the reaction time of 10 min. The yield is about 46%.

Thidiazuron can be used to produce 1-(4-bromo-phenyl)-3-(4-bromo-[1,2,3]thiadiazol-5-yl)-urea by heating

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should not breathe dust. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccccc1)Nc2snnc2
(2)Std. InChI: InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)
(3)Std. InChIKey: HFCYZXMHUIHAQI-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 2813mg/kg (2813mg/kg) BEHAVIORAL: EXCITEMENT Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(1), Pg. 72, 1984.
mouse LD50 oral 3740mg/kg (3740mg/kg) BEHAVIORAL: EXCITEMENT Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(1), Pg. 72, 1984.
quail LD50 oral > 16gm/kg (16000mg/kg)   Pesticide Manual. Vol. 9, Pg. 813, 1991.
rabbit LD50 oral 7100mg/kg (7100mg/kg) BEHAVIORAL: EXCITEMENT Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(1), Pg. 72, 1984.
rabbit LD50 skin > 1gm/kg (1000mg/kg)   Pesticide Manual. Vol. 9, Pg. 813, 1991.
rat LC50 inhalation > 2300mg/m3/4H (2300mg/m3)   Pesticide Manual. Vol. 9, Pg. 813, 1991.
rat LD50 intraperitoneal 4200mg/kg (4200mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C118, 1991.
rat LD50 oral 5350mg/kg (5350mg/kg) BEHAVIORAL: EXCITEMENT Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(1), Pg. 72, 1984.

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