CAS No.6318-74-7,Bax 439 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6318-74-7
Name:	Bax 439
Article Data:	36

Formula:	C₁₅H₁₂N₂S
Molecular Weight:	252.34
Synonyms:	Thiazole,2-amino-4,5-diphenyl- (6CI,7CI,8CI);2-Amino-4,5-diphenyl-1,3-thiazole;2-Amino-4,5-diphenylthiazole;4,5-Diphenyl-1,3-thiazol-2-amine;4,5-Diphenyl-2-aminothiazole;4,5-Diphenylthiazol-2-amine;NSC 31689;
Density:	1.23 g/cm³
Melting Point:	189-190℃ (hexane ethyl acetate )
Boiling Point:	420 °C at 760 mmHg
Flash Point:	207.8 °C
Solubility:	Insoluble in water. Soluble in chloroform and methanol.
PSA:	67.15000
LogP:	4.64050

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Specification

The 2-Thiazolamine,4,5-diphenyl- is an organic compound with the formula C₁₅H₁₂N₂S. The IUPAC name of this chemical is 4,5-diphenyl-1,3-thiazol-2-amine. With the CAS registry number 6318-74-7, it is also named as 2-Amino-4,5-diphenylthiazole. Besides, it should be stored in a clsoed cool and dry place.

Physical properties about 2-Thiazolamine,4,5-diphenyl- are: (1)ACD/LogP: 3.44; (2)ACD/LogD (pH 5.5): 3.33; (3)ACD/LogD (pH 7.4): 3.43; (4)ACD/BCF (pH 5.5): 189.58; (5)ACD/BCF (pH 7.4): 239.82; (6)ACD/KOC (pH 5.5): 1388.73; (7)ACD/KOC (pH 7.4): 1756.77; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 44.37 Å²; (12)Index of Refraction: 1.665; (13)Molar Refractivity: 76.14 cm³; (14)Molar Volume: 204.9 cm³; (15)Polarizability: 30.18×10^-24cm³; (16)Surface Tension: 54.5 dyne/cm; (17)Density: 1.23 g/cm³; (18)Flash Point: 207.8 °C; (19)Enthalpy of Vaporization: 67.38 kJ/mol; (20)Boiling Point: 420 °C at 760 mmHg; (21)Vapour Pressure: 2.9E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c(c1ccccc1)c(sc2N)c3ccccc3
(2)InChI: InChI=1/C15H12N2S/c16-15-17-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10H,(H2,16,17)
(3)InChIKey: XDWGEGZDMFHZBL-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C15H12N2S/c16-15-17-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10H,(H2,16,17)
(5)Std. InChIKey: XDWGEGZDMFHZBL-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	200mg/kg (200mg/kg)		National Technical Information Service. Vol. AD691-490,