-
Name
4-(3-FLUORO-4-METHOXYPHENYL)-1,3-THIAZOL-2-AMINE
- EINECS
- CAS No. 716-75-6
- Article Data3
- CAS DataBase
- Density 1.335 g/cm3
- Solubility
- Melting Point
- Formula C10H9FN2OS
- Boiling Point 403.7 °C at 760 mmHg
- Molecular Weight 224.259
- Flash Point 197.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Thiazole,2-amino-4-(3-fluoro-4-methoxyphenyl)- (7CI,8CI);4-(3-Fluoro-4-methoxy-phenyl)-thiazol-2-ylamine;
- PSA 76.38000
- LogP 3.12120
2-Thiazolamine,4-(3-fluoro-4-methoxyphenyl)- Specification
The 2-Thiazolamine,4-(3-fluoro-4-methoxyphenyl)- is an organic compound with the formula C10H9FN2OS. The systematic name of this chemical is 4-(3-Fluoro-4-methoxyphenyl)-1,3-thiazol-2-amine. With the CAS registry number 716-75-6, it is also named as 4-(3-Fluoro-4-methoxy-phenyl)-thiazol-2-ylamine. Besides, its molecular weight is 224.2547.
The physical properties of 2-Thiazolamine,4-(3-fluoro-4-methoxyphenyl)- are: (1)ACD/LogP: 2.16; (2)ACD/LogD (pH 5.5): 2.05; (3)ACD/LogD (pH 7.4): 2.15; (4)ACD/BCF (pH 5.5): 19.93; (5)ACD/BCF (pH 7.4): 25.5; (6)ACD/KOC (pH 5.5): 276.07; (7)ACD/KOC (pH 7.4): 353.21; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 53.6 Å2; (12)Index of Refraction: 1.61; (13)Molar Refractivity: 58.22 cm3; (14)Molar Volume: 167.9 cm3; (15)Polarizability: 23.08×10-24 cm3; (16)Surface Tension: 50.4 dyne/cm; (17)Density: 1.335 g/cm3; (18)Flash Point: 197.9 °C; (19)Enthalpy of Vaporization: 65.5 kJ/mol; (20)Boiling Point: 403.7 °C at 760 mmHg; (21)Vapour Pressure: 9.99E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc2cc(c1nc(sc1)N)ccc2OC
(2)InChI: InChI=1/C10H9FN2OS/c1-14-9-3-2-6(4-7(9)11)8-5-15-10(12)13-8/h2-5H,1H3,(H2,12,13)
(3)InChIKey: YNGDDNXKDDLUAK-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H9FN2OS/c1-14-9-3-2-6(4-7(9)11)8-5-15-10(12)13-8/h2-5H,1H3,(H2,12,13)
(5)Std. InChIKey: YNGDDNXKDDLUAK-UHFFFAOYSA-N
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