CAS No.205510-53-8,(E)-1-(2-CHLORO-5-THIAZOLYLMETHYL)-3-METHYL-2-NITROGUANIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	205510-53-8
Name:	(E)-1-(2-CHLORO-5-THIAZOLYLMETHYL)-3-METHYL-2-NITROGUANIDINE
Article Data:	20

Formula:	C₆H₈ClN₅O₂S
Molecular Weight:	249.681
Synonyms:	1-(2-Chloro-5-thiazolylmethyl)-3-methyl-2-nitroguanidine;Clothianidin;
Density:	1.68 g/cm³
Melting Point:	176.8oC
Boiling Point:	435.2 °C at 760 mmHg
Flash Point:	217 °C
Solubility:	327 mg/L at 20℃
PSA:	123.37000
LogP:	1.95820

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Specification

The Clothianidin, with the CAS registry number 205510-53-8, is also known as 1-(2-Chloro-5-thiazolylmethyl)-3-methyl-2-nitroguanidine. This chemical's molecular formula is C₆H₈ClN₅O₂S and molecular weight is 249.681. What's more, both its IUPAC name and systematic name are the same which is called 1-(2-Chloro-1,3-thiazol-5-yl)-1,2-dimethyl-3-nitroguanidine. Similar to thiamethoxam and imidacloprid, it is a neonicotinoid. Clothianidin is absorbed by plants and then distributed in pollen and nectar, killing pests.

Physical properties about Clothianidin are: (1) ACD/LogP: 0.40; (2) # of Rule of 5 Violations: 0; (3) ACD/BCF (pH 5.5): 1; (4) ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 19.68; (6) ACD/KOC (pH 7.4): 19.69; (7) #H bond acceptors: 7; (8) #H bond donors: 2; (9) #Freely Rotating Bonds: 2; (10) Polar Surface Area: 105.79 Å²; (11) Index of Refraction: 1.709; (12) Molar Refractivity: 57.74 cm³; (13) Molar Volume: 147.8 cm³; (14) Surface Tension: 69.2 dyne/cm; (15) Density: 1.68 g/cm³; (16) Flash Point: 217 °C; (17) Enthalpy of Vaporization: 69.14 kJ/mol; (18) Boiling Point: 435.2 °C at 760 mmHg; (19) Vapour Pressure: 8.93E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ncc(s1)CN/C(=N/C)N[N+]([O-])=O
(2) InChI: InChI=1/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)
(3) InChIKey: PGOOBECODWQEAB-UHFFFAOYAT