Basic information
- Name:
2-Thiazoleacetic acid,4-phenyl-
- CAS No.:
38107-10-7
- Molecular Structure:
- Formula:
- C11H9NO2S
- Molecular Weight:
- 219.26
- Synonyms:
- 4-Phenyl-2-thiazoleaceticacid;
- Density:
- 1.329 g/cm3
- Boiling Point:
- 423 °C at 760 mmHg
- Flash Point:
- 209.6 °C
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Specification
The 2-Thiazoleacetic acid,4-phenyl- is an organic compound with the formula C11H9NO2S. The systematic name of this chemical is (2-phenyl-1,3-thiazol-4-yl)acetic acid. With the CAS registry number 38107-10-7, it is also named as 4-Thiazoleacetic acid, 2-phenyl-.
Physical properties about 2-Thiazoleacetic acid,4-phenyl- are: (1)ACD/LogP: 2.53; (2)ACD/LogD (pH 5.5): 0.85; (3)ACD/LogD (pH 7.4): ; (4)ACD/BCF (pH 5.5): 1.03; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 11.87; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 67.43 Å2; (12)Index of Refraction: 1.626; (13)Molar Refractivity: 58.43 cm3; (14)Molar Volume: 164.8 cm3; (15)Polarizability: 23.16×10-24cm3; (16)Surface Tension: 58.6 dyne/cm; (17)Density: 1.329 g/cm3; (18)Flash Point: 209.6 °C; (19)Enthalpy of Vaporization: 71.39 kJ/mol; (20)Boiling Point: 423 °C at 760 mmHg; (21)Vapour Pressure: 6.56E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc1nc(sc1)c2ccccc2
(2)InChI: InChI=1/C11H9NO2S/c13-10(14)6-9-7-15-11(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)
(3)InChIKey: LYHDWKGJPJRCTG-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C11H9NO2S/c13-10(14)6-9-7-15-11(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)
(5)Std. InChIKey: LYHDWKGJPJRCTG-UHFFFAOYSA-N
