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144060-93-5

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Basic Information
CAS No.: 144060-93-5
Name: 2-[3-Nitro-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester
Article Data: 2
Molecular Structure:
Molecular Structure of 144060-93-5 (2-[3-Nitro-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester)
Formula: C17H20N2O5S
Molecular Weight: 364.422
Synonyms: 2-[3-Nitro-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester;Ethyl 2-(4-isobutoxy-3-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxylate;
Density: 1.24 g/cm3
Boiling Point: 503.2 °C at 760 mmHg
Flash Point: 258.2 °C
PSA: 122.48000
LogP: 4.76140
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Specification

The CAS register number of 2-[3-Nitro-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester is 144060-93-5. It also can be called as 5-Thiazolecarboxylicacid, 4-methyl-2-[4-(2-methylpropoxy)-3-nitrophenyl]-, ethyl ester and the systematic name about this chemical is ethyl 4-methyl-2-[4-(2-methylpropoxy)-3-nitrophenyl]-1,3-thiazole-5-carboxylate. The molecular formula about this chemical is C17H20N2O5S and the molecular weight is 364.42.

Physical properties about 2-[3-Nitro-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester are: (1)ACD/LogP: 5.56; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.56; (4)ACD/LogD (pH 7.4): 5.56; (5)ACD/BCF (pH 5.5): 9938.99; (6)ACD/BCF (pH 7.4): 9939; (7)ACD/KOC (pH 5.5): 25286.39; (8)ACD/KOC (pH 7.4): 25286.42; (9)#H bond acceptors: 7; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 122.48Å2; (12)Index of Refraction: 1.564; (13)Molar Refractivity: 95.63 cm3; (14)Molar Volume: 293.8 cm3; (15)Polarizability: 37.91x10-24cm3; (16)Surface Tension: 46.9 dyne/cm; (17)Enthalpy of Vaporization: 77.24 kJ/mol; (18)Boiling Point: 503.2 °C at 760 mmHg; (19)Vapour Pressure: 2.96E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)COc1ccc(cc1N(=O)=O)c2nc(C)c(s2)C(=O)OCC
(2)InChI: InChI=1/C17H20N2O5S/c1-5-23-17(20)15-11(4)18-16(25-15)12-6-7-14(24-9-10(2)3)13(8-12)19(21)22/h6-8,10H,5,9H2,1-4H3
(3)InChIKey: JWLCJIVSGRFHKH-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C17H20N2O5S/c1-5-23-17(20)15-11(4)18-16(25-15)12-6-7-14(24-9-10(2)3)13(8-12)19(21)22/h6-8,10H,5,9H2,1-4H3
(5)Std. InChIKey: JWLCJIVSGRFHKH-UHFFFAOYSA-N