CAS No.61676-87-7,Cymiazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	61676-87-7
Name:	Cymiazole

Formula:	C₁₂H₁₄N₂S
Molecular Weight:	218.323
Synonyms:	2-(2',4'-Dimethylphenylimino)-3-methylthiazoline;Besuntol;CGA 50439;Cymiazole;Tifatol;Xymiazole;
EINECS:	262-890-9
Density:	1.11g/cm³
Melting Point:	44 °C
Boiling Point:	354 °C at 760 mmHg
Flash Point:	167.9 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	45.53000
LogP:	2.93580

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Specification

The Benzenamine,2,4-dimethyl-N-(3-methyl-2(3H)-thiazolylidene)-, with CAS registry number 61676-87-7, has the systematic name of 2,4-dimethyl-N-[(2Z)-3-methyl-1,3-thiazol-2(3H)-ylidene]aniline. And its classification codes are Acaricide and Agricultural Chemical. What's more, its EINECS is 262-890-9.

Physical properties of Benzenamine,2,4-dimethyl-N-(3-methyl-2(3H)-thiazolylidene)-: (1)ACD/LogP: 3.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.32; (4)ACD/LogD (pH 7.4): 3.32; (5)ACD/BCF (pH 5.5): 194.9; (6)ACD/BCF (pH 7.4): 194.95; (7)ACD/KOC (pH 5.5): 1515.76; (8)ACD/KOC (pH 7.4): 1516.15; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 40.9 Å²; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 67.01 cm³; (15)Molar Volume: 196.1 cm³; (16)Polarizability: 26.56×10^-24cm³; (17)Surface Tension: 38.5 dyne/cm; (18)Enthalpy of Vaporization: 59.9 kJ/mol; (19)Vapour Pressure: 3.46E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N(/c1c(cc(cc1)C)C)=C2/S\C=C/N2C
(2)InChI: InChI=1/C12H14N2S/c1-9-4-5-11(10(2)8-9)13-12-14(3)6-7-15-12/h4-8H,1-3H3/b13-12-
(3)InChIKey: YUAUPYJCVKNAEC-SEYXRHQNBI
(4)Std. InChI: InChI=1S/C12H14N2S/c1-9-4-5-11(10(2)8-9)13-12-14(3)6-7-15-12/h4-8H,1-3H3/b13-12-
(5)Std. InChIKey: YUAUPYJCVKNAEC-SEYXRHQNSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	725mg/kg (725mg/kg)		Pesticide Manual. Vol. 9, Pg. 284, 1991.
rat	LD50	skin	> 3100mg/kg (3100mg/kg)		Pesticide Manual. Vol. 9, Pg. 284, 1991.