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%.
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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