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1001907-65-8

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Basic Information
CAS No.: 1001907-65-8
Name: Ethyl isothiazole-5-carboxylate
Molecular Structure:
Molecular Structure of 1001907-65-8 (Ethyl isothiazole-5-carboxylate)
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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Specification

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