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CAS No.: | 32137-76-1 |
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Name: | ETHYL 1,3-BENZOTHIAZOLE-2-CARBOXYLATE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H9NO2S |
Molecular Weight: | 207.253 |
Synonyms: | (2-Ethoxycarbonyl)benzothiazole;Ethyl 2-benzothiazolecarboxylate;Ethyl benzo[d]thiazole-2-carboxylate; |
Density: | 1.29 g/cm3 |
Melting Point: | 66-68 °C |
Boiling Point: | 312.8 °C at 760 mmHg |
Flash Point: | 142.9 °C |
Hazard Symbols: | Xi |
PSA: | 67.43000 |
LogP: | 2.47300 |
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The CAS register number of 2-Benzothiazolecarboxylicacid, ethyl ester is 32137-76-1. It also can be called as (2-Ethoxycarbonyl)benzothiazole and the IUPAC name about this chemical is ethyl 1,3-benzothiazole-2-carboxylate. The molecular formula about this chemical is C10H9NO2S and the molecular weight is 207.25. It belongs to the following product categories which include Benzothiazole; Heterocyclic Compounds and so on.
Physical properties about 2-Benzothiazolecarboxylicacid, ethyl ester are: (1)ACD/LogP: 3.01; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 113.16; (5)ACD/BCF (pH 7.4): 113.16; (6)ACD/KOC (pH 5.5): 1027.2; (7)ACD/KOC (pH 7.4): 1027.2; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 67.43Å2; (11)Index of Refraction: 1.627; (12)Molar Refractivity: 56.97 cm3; (13)Molar Volume: 160.6 cm3; (14)Polarizability: 22.58x10-24cm3; (15)Surface Tension: 52.7 dyne/cm; (16)Enthalpy of Vaporization: 55.38 kJ/mol; (17)Boiling Point: 312.8 °C at 760 mmHg; (18)Vapour Pressure: 0.000519 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1nc2ccccc2s1
(2)InChI: InChI=1/C10H9NO2S/c1-2-13-10(12)9-11-7-5-3-4-6-8(7)14-9/h3-6H,2H2,1H3
(3)InChIKey: VLQLCEXNNGQELL-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H9NO2S/c1-2-13-10(12)9-11-7-5-3-4-6-8(7)14-9/h3-6H,2H2,1H3
(5)Std. InChIKey: VLQLCEXNNGQELL-UHFFFAOYSA-N