Basic Information | Post buying leads | Suppliers |
Name |
Ethyl 4-chlorothiazole-5-carboxylate |
EINECS | N/A |
CAS No. | 444909-55-1 | Density | 1.383 g/cm3 |
PSA | 67.43000 | LogP | 1.97320 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H6ClNO2S | Boiling Point | 274.1 °C at 760 mmHg |
Molecular Weight | 191.6353 | Flash Point | 119.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Thiazolecarboxylic acid, 4-chloro-, ethyl ester; |
The Ethyl 4-chlorothiazole-5-carboxylate, with the CAS registry number 444909-55-1, is also known as 5-Thiazolecarboxylic acid, 4-chloro-, ethyl ester. This chemical's molecular formula is C6H6ClNO2S and molecular weight is 191.6353. What's more, its systematic name is Ethyl 4-chloro-1, 3-thiazole-5-carboxylate.
Physical properties about Ethyl 4-chlorothiazole-5-carboxylate are: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/LogD (pH 7.4): 1.51; (5)ACD/BCF (pH 5.5): 8.26; (6)ACD/BCF (pH 7.4): 8.26; (7)ACD/KOC (pH 5.5): 157.74; (8)ACD/KOC (pH 7.4): 157.74; (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: 1.548; (14)Molar Refractivity: 44.02 cm3; (15)Molar Volume: 138.4 cm3; (16)Polarizability: 17.45×10-24 cm3; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.383 g/cm3; (19)Flash Point: 119.6 °C; (20)Enthalpy of Vaporization: 51.25 kJ/mol; (21)Boiling Point: 274.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0055 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1scnc1Cl
(2) InChI: InChI=1/C6H6ClNO2S/c1-2-10-6(9)4-5(7)8-3-11-4/h3H,2H2,1H3
(3) InChIKey: SVKUSYRTZMFDEM-UHFFFAOYAL