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CAS No.: | 39893-80-6 |
---|---|
Name: | 4-(3,4-DICHLORO-PHENYL)-THIAZOL-2-YLAMINE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C9H6Cl2N2S |
Molecular Weight: | 245.132 |
Synonyms: | 2-Amino-4-(3,4-dichlorophenyl)thiazole;4-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine; |
Density: | 1.498 g/cm3 |
Melting Point: | 161.0 to 165.0 °C |
Boiling Point: | 420.7 °C at 760 mmHg |
Flash Point: | 208.3 °C |
Hazard Symbols: | Xi |
PSA: | 67.15000 |
LogP: | 4.28030 |
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The 2-Thiazolamine,4-(3,4-dichlorophenyl)- is an organic compound with the formula C9H6Cl2N2S. The IUPAC name of this chemical is 4-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine. With the CAS registry number 39893-80-6, it is also named as 4-(3,4-Dichloro-phenyl)-thiazol-2-ylamine. Besides, its molecular weight is 245.13.
The physical properties of 2-Thiazolamine,4-(3,4-dichlorophenyl)- are: (1)ACD/LogP: 3.15; (2)ACD/LogD (pH 5.5): 3.13; (3)ACD/LogD (pH 7.4): 3.15; (4)ACD/BCF (pH 5.5): 140.83; (5)ACD/BCF (pH 7.4): 145.38; (6)ACD/KOC (pH 5.5): 1190.35; (7)ACD/KOC (pH 7.4): 1228.82; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 44.37 Å2; (12)Index of Refraction: 1.673; (13)Molar Refractivity: 61.34 cm3; (14)Molar Volume: 163.6 cm3; (15)Polarizability: 24.31×10-24 cm3; (16)Surface Tension: 60 dyne/cm; (17)Density: 1.498 g/cm3; (18)Flash Point: 208.3 °C; (19)Enthalpy of Vaporization: 67.47 kJ/mol; (20)Boiling Point: 420.7 °C at 760 mmHg; (21)Vapour Pressure: 2.75E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2c(Cl)cc(c1nc(sc1)N)cc2
(2)InChI: InChI=1/C9H6Cl2N2S/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-4H,(H2,12,13)
(3)InChIKey: UWAXMUSNRIUHRQ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H6Cl2N2S/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-4H,(H2,12,13)
(5)Std. InChIKey: UWAXMUSNRIUHRQ-UHFFFAOYSA-N