Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethyl 5-methylthiazole-2-carboxylate |
EINECS | N/A |
CAS No. | 58334-08-0 | Density | 1.198 g/cm3 |
PSA | 67.43000 | LogP | 1.62820 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H9NO2S | Boiling Point | 248.7 °C at 760 mmHg |
Molecular Weight | 171.22 | Flash Point | 104.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ethyl 5-methyl-1,3-thiazole-2-carboxylate; |
Article Data | 4 |
The Ethyl 5-methylthiazole-2-carboxylate has CAS registry number 58334-08-0. This chemical's molecular formula is C7H9NO2S and molecular weight is 171.2169. What's more, its systematic name is Ethyl 5-methyl-1, 3-thiazole-2-carboxylate.
Physical properties about Ethyl 5-methylthiazole-2-carboxylate are: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 14.07; (6)ACD/BCF (pH 7.4): 14.07; (7)ACD/KOC (pH 5.5): 231; (8)ACD/KOC (pH 7.4): 231; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 67.43 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 43.95 cm3; (15)Molar Volume: 142.8 cm3; (16)Polarizability: 17.42×10-24 cm3; (17)Surface Tension: 43.5 dyne/cm; (18)Density: 1.198 g/cm3; (19)Flash Point: 104.2 °C; (20)Enthalpy of Vaporization: 48.59 kJ/mol; (21)Boiling Point: 248.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0239 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1ncc(s1)C
(2) InChI: InChI=1/C7H9NO2S/c1-3-10-7(9)6-8-4-5(2)11-6/h4H,3H2,1-2H3
(3) InChIKey: VEPAYOCGFBLRCU-UHFFFAOYAZ