Products Categories
CAS No.: | 101736-22-5 |
---|---|
Name: | 2-(5-METHYL-2-PHENYLTHIAZOLE-4-YL)ACETIC ACID |
Molecular Structure: | |
Formula: | C12H11NO2S |
Molecular Weight: | 233.291 |
Synonyms: | (5-Methyl-2-phenyl-1,3-thiazol-4-yl)aceticacid;2-(5-Methyl-2-phenylthiazole-4-yl)acetic acid;2-(5-Methyl-2-phenyl-1,3-thiazol-4-yl)acetic acid; |
Density: | 1.287 g/cm3 |
Melting Point: | 135-137 °C |
Boiling Point: | 435.1 °C at 760 mmHg |
Flash Point: | 216.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
PSA: | 78.43000 |
LogP: | 2.74560 |
What can I do for you?
Get Best Price
The CAS register number of 4-Thiazoleacetic acid,5-methyl-2-phenyl- is 101736-22-5. It also can be called as (5-Methyl-2-phenyl-1,3-thiazol-4-yl)aceticacid and the IUPAC name about this chemical is 2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetic acid. The molecular formula about this chemical is C12H11NO2S and the molecular weight is 233.29. This chemical is irritant and it may cause inflammation to the skin or other mucous membranes.
Physical properties about 4-Thiazoleacetic acid,5-methyl-2-phenyl- are: (1)ACD/LogP: 2.99; (2)ACD/LogD (pH 5.5): 1.31; (3)ACD/LogD (pH 7.4): -0.36; (4)ACD/BCF (pH 5.5): 2.33; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 21.34; (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: 1.615; (13)Molar Refractivity: 63.25 cm3; (14)Molar Volume: 181.1 cm3; (15)Polarizability: 25.07x10-24cm3; (16)Surface Tension: 55.3 dyne/cm; (17)Density: 1.287 g/cm3; (18)Flash Point: 216.9 °C; (19)Enthalpy of Vaporization: 72.87 kJ/mol; (20)Boiling Point: 435.1 °C at 760 mmHg; (21)Vapour Pressure: 2.43E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc1nc(sc1C)c2ccccc2
(2)InChI: InChI=1/C12H11NO2S/c1-8-10(7-11(14)15)13-12(16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15)
(3)InChIKey: SZYXURFSAUXFNT-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C12H11NO2S/c1-8-10(7-11(14)15)13-12(16-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15)
(5)Std. InChIKey: SZYXURFSAUXFNT-UHFFFAOYSA-N