5-Thiazolecarboxylicacid, 2,4-diphenyl- supplier

Name
2,4-DIPHENYL-1,3-THIAZOLE-5-CARBOXYLIC ACID
EINECS
CAS No. 502935-47-9
Article Data3
CAS DataBase
Density 1.307 g/cm³
Solubility
Melting Point 212 °C
Formula C₁₆H₁₁NO₂S
Boiling Point 484.1 °C at 760 mmHg
Molecular Weight 281.335
Flash Point 246.6 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 2,4-Diphenyl-1,3-thiazole-5-carboxylicacid;2,4-Diphenylthiazole-5-carboxylic acid;2,4-Diphenyl-1,3-thiazole-5-carboxylic acid 97%;
PSA 78.43000
LogP 4.17530

5-Thiazolecarboxylicacid, 2,4-diphenyl- Specification

The CAS register number of 5-Thiazolecarboxylicacid, 2,4-diphenyl- is 502935-47-9. It also can be called as 2,4-Diphenylthiazole-5-carboxylic acid and the IUPAC name about this chemical is 2,4-diphenyl-1,3-thiazole-5-carboxylic acid. The molecular formula about this chemical is C₁₆H₁₁NO₂S and the molecular weight is 281.33. It belongs to the following product category which includes pharmacetical.

Physical properties about 5-Thiazolecarboxylicacid, 2,4-diphenyl- are: (1)ACD/LogP: 4.02; (2)ACD/LogD (pH 5.5): 1.15; (3)ACD/LogD (pH 7.4): 0.87; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.93; (7)ACD/KOC (pH 7.4): 2.61; (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: 1.653; (13)Molar Refractivity: 78.84 cm³; (14)Molar Volume: 215.2 cm³; (15)Polarizability: 31.25x10^-24cm³; (16)Surface Tension: 57.7 dyne/cm; (17)Density: 1.307 g/cm³; (18)Flash Point: 246.6 °C; (19)Enthalpy of Vaporization: 78.93 kJ/mol; (20)Boiling Point: 484.1 °C at 760 mmHg; (21)Vapour Pressure: 3.49E-10 mmHg at 25 °C

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1sc(nc1c2ccccc2)c3ccccc3
(2)InChI: InChI=1/C16H11NO2S/c18-16(19)14-13(11-7-3-1-4-8-11)17-15(20-14)12-9-5-2-6-10-12/h1-10H,(H,18,19)
(3)InChIKey: KMOCHRNIGWCEJV-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C16H11NO2S/c18-16(19)14-13(11-7-3-1-4-8-11)17-15(20-14)12-9-5-2-6-10-12/h1-10H,(H,18,19)
(5)Std. InChIKey: KMOCHRNIGWCEJV-UHFFFAOYSA-N

Product Name

2,4-DIPHENYL-1,3-THIAZOLE-5-CARBOXYLIC ACID

5-Thiazolecarboxylicacid, 2,4-diphenyl- Specification

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