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Ethyl 2-phenylamino-5-thiazolecarboxylate

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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 Molecular Structure of 591777-89-8 (ETHYL 2-PHENYLAMINO-5-THIAZOLECARBOXYLATE) Hazard Symbols N/A
Synonyms

ETHYL 2-PHENYLAMINO-5-THIAZOLECARBOXYLATE;5-Thiazolecarboxylic acid, 2-(phenylaMino)-, ethyl ester

Article Data 1

Ethyl 2-phenylamino-5-thiazolecarboxylate Specification

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

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