Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethyl 2-phenylamino-5-thiazolecarboxylate |
EINECS | N/A |
CAS No. | 591777-89-8 | Density | 1.289 g/cm3 |
PSA | 79.46000 | LogP | 3.13640 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H12N2O2S | Boiling Point | 382.609 °C at 760 mmHg |
Molecular Weight | 248.3 | Flash Point | 185.196 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
ETHYL 2-PHENYLAMINO-5-THIAZOLECARBOXYLATE;5-Thiazolecarboxylic acid, 2-(phenylaMino)-, ethyl ester |
Article Data | 1 |
The Ethyl 2-phenylamino-5-thiazolecarboxylate is an organic compound with the formula C12H12N2O2S. The systematic name of this chemical is ethyl 2-(phenylamino)-1,3-thiazole-5-carboxylate. With the CAS registry number 591777-89-8, the product's category is Pharmacetical.
Physical properties about Ethyl 2-phenylamino-5-thiazolecarboxylate are: (1)ACD/LogP: 1.69; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 84; (5)ACD/BCF (pH 7.4): 84; (6)ACD/KOC (pH 5.5): 830; (7)ACD/KOC (pH 7.4): 832; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 79.46 Å2; (12)Index of Refraction: 1.63; (13)Molar Refractivity: 68.509 cm3; (14)Molar Volume: 192.577 cm3; (15)Polarizability: 27.159×10-24cm3; (16)Surface Tension: 54.216 dyne/cm; (17)Density: 1.289 g/cm3; (18)Flash Point: 185.196 °C; (19)Enthalpy of Vaporization: 63.104 kJ/mol; (20)Boiling Point: 382.609 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1sc(nc1)Nc2ccccc2
(2)InChI: InChI=1/C12H12N2O2S/c1-2-16-11(15)10-8-13-12(17-10)14-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14)
(3)InChIKey: LQFGNNOXUYKOOH-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C12H12N2O2S/c1-2-16-11(15)10-8-13-12(17-10)14-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14)
(5)Std. InChIKey: LQFGNNOXUYKOOH-UHFFFAOYSA-N