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Basic Information
CAS No.: 2834-79-9
Name: 2-amino-4-(4-biphenylyl)-thiazol
Article Data: 14
Molecular Structure:
Molecular Structure of 2834-79-9 (2-amino-4-(4-biphenylyl)-thiazol)
Formula: C15H12N2S
Molecular Weight: 252.34
Synonyms: Thiazole,2-amino-4-(4-biphenylyl)- (6CI,7CI,8CI);4-(1,1'-Biphenyl-4-yl)-2-amino-1,3-thiazole;4-(4-Phenylphenyl)thiazol-2-amine;4-(biphenyl-4-yl)-1,3-thiazol-2-amine;2-Thiazolamine, 4-[1,1'-biphenyl]-4-yl-;4-(Biphenyl-4-yl)-1,3-thiazol-2-amine;
Density: 1.23 g/cm3
Melting Point: 129-132?°C(lit.)
Boiling Point: 489 °C at 760 mmHg
Flash Point: 249.5 °C
Hazard Symbols: Xi
PSA: 67.15000
LogP: 4.64050
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Specification

The 2-Thiazolamine,4-[1,1'-biphenyl]-4-yl-, with the CAS registry number 2834-79-9, has the sydtematic name of 4-(biphenyl-4-yl)-1,3-thiazol-2-amine. It is also called 4-(4-phenylphenyl)-1,3-thiazol-2-amine. And the molecular formula of the chemical is C15H12N2S.

The characteristics of 2-Thiazolamine,4-[1,1'-biphenyl]-4-yl- are as followings: (1)ACD/LogP: 3.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.37; (4)ACD/LogD (pH 7.4): 3.79; (5)ACD/BCF (pH 5.5): 171.39; (6)ACD/BCF (pH 7.4): 441.75; (7)ACD/KOC (pH 5.5): 1050.27; (8)ACD/KOC (pH 7.4): 2707.09; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.37 Å2; (13)Index of Refraction: 1.665; (14)Molar Refractivity: 76.14 cm3; (15)Molar Volume: 204.9 cm3; (16)Polarizability: 30.18×10-24cm3; (17)Surface Tension: 54.5 dyne/cm; (18)Density: 1.23 g/cm3; (19)Flash Point: 249.5 °C; (20)Enthalpy of Vaporization: 75.52 kJ/mol; (21)Boiling Point: 489 °C at 760 mmHg; (22)Vapour Pressure: 1.04E-09 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n3c(c2ccc(c1ccccc1)cc2)csc3N
(2)InChI: InChI=1/C15H12N2S/c16-15-17-14(10-18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H2,16,17)
(3)InChIKey: HTAUVJPDFDVVHV-UHFFFAOYAR

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   National Technical Information Service. Vol. AD277-689,
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 11, 1953.