The 2-Benzothiazoleaceticacid, ethyl ester, with the CAS registry number 29182-42-1, has the systematic name of ethyl 1,3-benzothiazol-2-ylacetate. It is a kind of yellow oil or crystal, and belongs to the proudct category of Benzothiazole. And the molecular formula of this chemical is C11H11NO2S.
The physical properties of 2-Benzothiazoleaceticacid, ethyl ester are as following: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 67.43 Å2; (7)Index of Refraction: 1.613; (8)Molar Refractivity: 61.16 cm3; (9)Molar Volume: 175.5 cm3; (10)Polarizability: 24.24×10-24cm3; (11)Surface Tension: 51 dyne/cm; (12)Density: 1.26 g/cm3; (13)Flash Point: 154 °C; (14)Enthalpy of Vaporization: 57.36 kJ/mol; (15)Boiling Point: 331 °C at 760 mmHg; (16)Vapour Pressure: 0.00016 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)Cc1nc2ccccc2s1
(2)InChI: InChI=1/C11H11NO2S/c1-2-14-11(13)7-10-12-8-5-3-4-6-9(8)15-10/h3-6H,2,7H2,1H3
(3)InChIKey: VYMJUZXFYAREJY-UHFFFAOYAM
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