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CAS No.: | 1001907-65-8 |
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Name: | Ethyl isothiazole-5-carboxylate |
Molecular Structure: | |
Formula: | C6H7NO2S |
Molecular Weight: | 157.1903 |
Synonyms: | Ethyl isothiazole-5-carboxylate;5-Isothiazolecarboxylic acid, ethyl ester |
Density: | 1.242 g/cm3 |
Boiling Point: | 173.6 °C at 760 mmHg |
Flash Point: | 58.8 °C |
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The Ethyl isothiazole-5-carboxylate has CAS registry number 1001907-65-8. This chemical's molecular formula is C6H7NO2S and molecular weight is 157.1903. What's more, its systematic name is Ethyl isothiazole-5-carboxylate.
Physical properties about Ethyl isothiazole-5-carboxylate are: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.32; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 67.43 Å2; (9)Index of Refraction: 1.53; (10)Molar Refractivity: 39.13 cm3; (11)Molar Volume: 126.5 cm3; (12)Polarizability: 15.51×10-24 cm3; (13)Surface Tension: 45.8 dyne/cm; (14)Density: 1.242 g/cm3; (15)Flash Point: 58.8 °C; (16)Enthalpy of Vaporization: 41 kJ/mol; (17)Boiling Point: 173.6 °C at 760 mmHg; (18)Vapour Pressure: 1.25 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1ccns1
(2) InChI: InChI=1/C6H7NO2S/c1-2-9-6(8)5-3-4-7-10-5/h3-4H,2H2,1H3
(3) InChIKey: ROOWZHIFHRFVAL-UHFFFAOYAS