Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethyl 2-(4-hydroxy-3-nitrophenyl)-4-methyl-5-thiazolecarbonate |
EINECS | N/A |
CAS No. | 144060-67-3 | Density | 1.412 g/cm3 |
PSA | 133.48000 | LogP | 3.43220 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H12N2O5S | Boiling Point | 453.044 °C at 760 mmHg |
Molecular Weight | 308.315 | Flash Point | 227.793 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(4-Hydroxy-3-nitrophenyl)-4-methyl-5-thiazolecarboxylic acid ethyl ester;Ethyl 2-(4-hydroxy-3-nitrophenyl)-4-methyl-5-thiazolecarbonate;Ethyl 2-(4-hydroxy-3-nitrophenyl)-4-methylthiazole-5-carboxylate |
Article Data | 2 |
The Ethyl 2-(4-hydroxy-3-nitrophenyl)-4-methyl-5-thiazolecarbonate, with CAS registry number 144060-67-3, has the systematic name of ethyl 2-(4-hydroxy-3-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxylate. Besides this, it is also called 2-(4-Hydroxy-3-nitrophenyl)-4-methyl-5-thiazolecarboxylic acid ethyl ester. And the chemical formula of this chemical is C13H12N2O5S.
Physical properties of Ethyl 2-(4-hydroxy-3-nitrophenyl)-4-methyl-5-thiazolecarbonate: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.88; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 426.43; (6)ACD/BCF (pH 7.4): 9.95; (7)ACD/KOC (pH 5.5): 2082.59; (8)ACD/KOC (pH 7.4): 48.58; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 133.48 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 76.97 cm3; (15)Molar Volume: 218.3 cm3; (16)Polarizability: 30.51×10-24cm3; (17)Surface Tension: 61.1 dyne/cm; (18)Density: 1.411 g/cm3; (19)Flash Point: 227.8 °C; (20)Enthalpy of Vaporization: 73.97 kJ/mol; (21)Boiling Point: 453 °C at 760 mmHg; (22)Vapour Pressure: 7.95E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1cc(ccc1O)c2nc(C)c(s2)C(=O)OCC
(2)InChI: InChI=1/C13H12N2O5S/c1-3-20-13(17)11-7(2)14-12(21-11)8-4-5-10(16)9(6-8)15(18)19/h4-6,16H,3H2,1-2H3
(3)InChIKey: IGVKTGODUOAVBZ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C13H12N2O5S/c1-3-20-13(17)11-7(2)14-12(21-11)8-4-5-10(16)9(6-8)15(18)19/h4-6,16H,3H2,1-2H3
(5)Std. InChIKey: IGVKTGODUOAVBZ-UHFFFAOYSA-N